NP-MRD: Showing NP-Card for 2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile (NP0189247)

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Record Information

Version

2.0

Created at

2022-09-04 05:42:01 UTC

Updated at

2022-09-04 05:42:01 UTC

NP-MRD ID

NP0189247

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile

Description

2-[(4S)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]Hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile belongs to the class of organic compounds known as indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline. 2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile is found in Streptomyces platensis. Based on a literature review very few articles have been published on 2-[(4S)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]Hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 39  0  0  0  0  0  0  0  0999 V2000
   -3.7964   -2.0732    1.8531 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7801   -1.6500    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7359   -1.1221   -0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105   -0.1225   -0.7714 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7701    1.0304    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6139    1.8130    0.4104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3743    1.2852   -0.0440 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7318    2.0980    0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0493    1.4686    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3445    1.9264    0.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8426    3.5716    0.7156 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1926    0.9209    0.1398 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374   -0.1786   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765   -1.5188   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350   -2.4147   -0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2942   -2.0502   -0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456   -0.7014    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105    0.1438    0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227   -0.1683    0.2480 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3170   -0.8750   -0.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6676   -1.9416   -1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7362   -0.6436   -0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682    0.2407   -1.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546    0.6557    1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5603    1.7077   -0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272    2.1157    1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850    1.5232   -1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5519    2.1464    1.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7403    3.1257    0.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2118    0.9911    0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6781   -1.8471   -0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8061   -3.4634   -0.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4734   -2.7372   -0.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388   -0.3199    1.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558   -1.8920   -0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8068   -1.0443   -1.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0
 10  9  2  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  3  0
  4 20  1  0
 20 19  1  0
 19 17  1  0
 17 18  2  0
 18 13  1  0
 13 12  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 12 10  1  0
 18  9  1  0
 19  7  1  0
 16 17  1  0
  8 28  1  0
  8 29  1  0
  7 27  1  6
  6 26  1  0
  5 24  1  0
  5 25  1  0
  4 23  1  6
  3 21  1  0
  3 22  1  0
 20 35  1  0
 20 36  1  0
 19 34  1  1
 12 30  1  0
 14 31  1  0
 15 32  1  0
 16 33  1  0
M  END


  Mrv1652309042207422D          

 20 23  0  0  1  0            999 V2000
    4.7079    2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9934   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960   -1.0396    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  9 18  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  1  0  0  0  0
  4 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0189247

> <DATABASE_NAME>
NP-MRD

> <SMILES>
ClC1=C2CC3NC[C@H](CC#N)CC3C3=C2C(N1)=CC=C3

> <INCHI_IDENTIFIER>
InChI=1S/C16H16ClN3/c17-16-12-7-14-11(6-9(4-5-18)8-19-14)10-2-1-3-13(20-16)15(10)12/h1-3,9,11,14,19-20H,4,6-8H2/t9-,11?,14?/m1/s1

> <INCHI_KEY>
QSRIXAFISHOVGA-FDMSEYEVSA-N

> <FORMULA>
C16H16ClN3

> <MOLECULAR_WEIGHT>
285.78

> <EXACT_MASS>
285.1032752

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
30.063584946179823

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(4S)-10-chloro-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile

> <JCHEM_LOGP>
2.220985953333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.33427460405769

> <JCHEM_PKA_STRONGEST_BASIC>
9.346931625614445

> <JCHEM_POLAR_SURFACE_AREA>
51.61

> <JCHEM_REFRACTIVITY>
79.99149999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-[(4S)-10-chloro-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  N   UNK     0       8.788   5.390   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       8.788   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.788   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.454  -0.000   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       6.121  -0.770   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       4.787  -0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.453  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.120  -0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.655  -0.476   0.000  0.00  0.00           C+0
HETATM   11 Cl   UNK     0       0.179  -1.941   0.000  0.00  0.00          Cl+0
HETATM   12  N   UNK     0      -0.250   0.770   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       0.655   2.016   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.335   3.522   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.479   4.553   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.944   4.077   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.453   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.120   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   20                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   19                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   18                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17    9   13                                                  
CONECT   19   17    7   20                                                  
CONECT   20   19    4                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₆ClN₃

Average Mass

285.7800 Da

Monoisotopic Mass

285.10328 Da

IUPAC Name

2-[(4S)-10-chloro-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile

Traditional Name

2-[(4S)-10-chloro-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile

CAS Registry Number

Not Available

SMILES

ClC1=C2CC3NC[C@H](CC#N)CC3C3=C2C(N1)=CC=C3

InChI Identifier

InChI=1S/C16H16ClN3/c17-16-12-7-14-11(6-9(4-5-18)8-19-14)10-2-1-3-13(20-16)15(10)12/h1-3,9,11,14,19-20H,4,6-8H2/t9-,11?,14?/m1/s1

InChI Key

QSRIXAFISHOVGA-FDMSEYEVSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces platensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Indoloquinolines

Direct Parent

Indoloquinolines

Alternative Parents

Substituents

Indoloquinoline
Ergoline skeleton
Benzoquinoline
Pyrroloquinoline
3-alkylindole
Alkaloid or derivatives
Isoindole or derivatives
Indole or derivatives
Indole
Aralkylamine
Benzenoid
Substituted pyrrole
Piperidine
Aryl halide
Aryl chloride
Heteroaromatic compound
Pyrrole
Azacycle
Secondary amine
Nitrile
Carbonitrile
Secondary aliphatic amine
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Organochloride
Organohalogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.22	ChemAxon
pKa (Strongest Acidic)	14.33	ChemAxon
pKa (Strongest Basic)	9.35	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	51.61 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	79.99 m³·mol⁻¹	ChemAxon
Polarizability	30.06 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163057098

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile (NP0189247)

MOL for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)

3D MOL for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)

3D SDF for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)

3D-SDF for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)

PDB for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)

3D PDB for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)

SMILES for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)

INCHI for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)

Structure for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)

3D Structure for NP0189247 (2-[(4s)-10-chloro-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile)