Mrv1652306192118543D 24 26 0 0 0 0 999 V2000 -2.2862 3.5756 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7365 2.3620 0.1054 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3751 2.0873 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2644 0.8449 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 0.1201 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 -1.1103 1.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8616 -1.5935 1.9406 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9348 -0.8192 1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5718 0.3887 1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 1.3064 0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9026 1.0905 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7513 1.8959 0.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3278 -0.2627 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6876 -0.4743 1.4037 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 -1.1259 1.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7699 -2.6548 2.4210 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 4.0654 0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 4.2371 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 3.3087 -1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3674 2.8031 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8955 0.4115 1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2045 -1.8186 2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3096 0.2549 1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0441 -1.3348 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 15 13 2 0 0 0 0 7 8 2 0 0 0 0 13 11 1 0 0 0 0 9 4 1 0 0 0 0 11 10 1 0 0 0 0 10 9 2 0 0 0 0 4 3 2 0 0 0 0 5 6 2 0 0 0 0 3 2 1 0 0 0 0 10 2 1 0 0 0 0 9 8 1 0 0 0 0 11 12 2 0 0 0 0 4 5 1 0 0 0 0 13 14 1 0 0 0 0 8 15 1 0 0 0 0 15 16 1 0 0 0 0 6 7 1 0 0 0 0 2 1 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 3 20 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 M END > NP0024562 > NP-MRD > [H]N([H])C1=C(Cl)C2=NC([H])=C([H])C3=C([H])N(C(=C23)C1=O)C([H])([H])[H] > InChI=1S/C11H8ClN3O/c1-15-4-5-2-3-14-9-6(5)10(15)11(16)8(13)7(9)12/h2-4H,13H2,1H3 > PQYDUSMCHWLZPN-UHFFFAOYSA-N > C11H8ClN3O > 233.66 > 233.0355896 > 3 > 24 > 22.7981471006458 > 1 > 1 > 0 > 1 > 10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,5,7,9-pentaen-11-one > 1.17 > 0.29651995700000017 > -2.56 > 0 > 3 > 0 > 1.7186305622506477 > 60.91 > 62.614399999999996 > 0 > 1 > 6.49e-01 g/l > 10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,5,7,9-pentaen-11-one > 0 > NP0024562 > Isobatzelline E $$$$