TC OT 39
HIT212709372
sdf文件结构编辑类似物检索
HIT ID: HIT212709372
Cas No: 479232-57-0
分子式: C32H40N8O2S
分子量: 600.79
常用名: TC OT 39
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 1.4527404
IUPAC: (Z,2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[(2-methyl-4-{4-methyl-2,4,5,9-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),5,10,12-pentaene-9-carbonyl}phenyl)methyl]pyrrolidine-1-carboximidic acid
IUPAC: (Z,2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[(2-methyl-4-{4-methyl-2,4,5,9-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),5,10,12-pentaene-9-carbonyl}phenyl)methyl]pyrrolidine-1-carboximidic acid
SMILES: [H][C@]1(CCCN1\C(O)=N\Cc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12)C(=S)N1CCCN(C)CC1
SMILES: [H][C@]1(CCCN1\C(O)=N\Cc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12)C(=S)N1CCCN(C)CC1
InChI key: KSNHHKZYKYNBEI-NDEPHWFRSA-N
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