Mrv1909 12022019432D 23 26 0 0 0 0 999 V2000 0.5316 1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 2.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7134 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5254 2.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1117 0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3888 2.2899 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8112 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0137 0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7134 1.1854 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3676 -0.2647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1899 -0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5438 -1.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 -1.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -1.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 -0.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 6 1 1 0 0 0 0 10 13 1 0 0 0 0 13 2 1 0 0 0 0 1 2 2 0 0 0 0 11 14 1 0 0 0 0 3 4 2 0 0 0 0 1 15 1 0 0 0 0 7 8 2 0 0 0 0 5 16 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 8 9 1 0 0 0 0 4 5 1 0 0 0 0 9 10 2 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 5 6 2 0 0 0 0 20 23 1 0 0 0 0 M END > DB15971 > drugbank > CN1CCN(CC1)C1CC2=CC=CC=C2SC2=C1C=C(Cl)C=C2 > InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3 > XRYLGRGAWQSVQW-UHFFFAOYSA-N > C19H21ClN2S > 344.9 > 344.1113976 > 2 > 44 > 1.9833784384629825 > 38.01027678744159 > 1 > 0 > 0 > 1 > 1-{6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-yl}-4-methylpiperazine > 4.07 > 4.654211878333335 > -5.21 > 0 > 1 > 4 > 1 > 7.625972516884223 > 6.48 > 101.11949999999999 > 1 > 1 > 2.15e-03 g/l > 1-{6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-yl}-4-methylpiperazine > 1 > DB15971 > experimental > Clorotepine > Clorotepina; Clorotepine; Clorotepinum; Clothepin; Octoclothepine > Clorotepine maleate $$$$