Mrv1652309022223322D 25 29 0 0 1 0 999 V2000 2.8316 -1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -2.5041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1805 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 -3.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 -3.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 -4.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 -4.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 -4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 -3.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 -4.3793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7957 -4.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2239 -3.5204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0269 -3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7048 -3.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4509 -3.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5191 -4.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8411 -4.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 -4.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3342 -4.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7131 -5.1582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9025 -5.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6304 -6.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 12 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 8 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > NP0163006 > NP-MRD > C[C@H](O)C1=CN=CC2=C1C[C@H]1N(CCC3=C1NC1=CC=CC=C31)C2=O > InChI=1S/C20H19N3O2/c1-11(24)15-9-21-10-16-14(15)8-18-19-13(6-7-23(18)20(16)25)12-4-2-3-5-17(12)22-19/h2-5,9-11,18,22,24H,6-8H2,1H3/t11-,18+/m0/s1 > VYYUHEYCBMBYKP-BBATYDOGSA-N > C20H19N3O2 > 333.391 > 333.147726864 > 3 > 44 > 36.15743981683036 > 1 > 2 > 0 > 1 > (1R)-19-[(1S)-1-hydroxyethyl]-3,13,17-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one > 1.84 > 1.5855713886666671 > -3.28 > 0 > 5 > 0 > 15.331026768482634 > 14.30256706957082 > 3.1432792303211072 > 69.22 > 95.87359999999997 > 1 > 1 > 1.75e-01 g/l > (1R)-19-[(1S)-1-hydroxyethyl]-3,13,17-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one > 0 > NP0163006 > (1r)-19-[(1s)-1-hydroxyethyl]-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one $$$$