Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9TUN1
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| Ligand Name |
N~2~-{2-Chloro-4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-N~2~,N~8~-Dimethyl-4,5-Dihydrothieno[3,2-D][1]benzoxepine-2,8-Dicarboxamide
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| Synonyms |
CHEMBL1950037; N~2~-{2-Chloro-4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-N~2~,N~8~-Dimethyl-4,5-Dihydrothieno[3,2-D][1]benzoxepine-2,8-Dicarboxamide; SCHEMBL989930; BDBM50419772; Q27454119; 3T8; N2-(2-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl)-N2,N8-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C28H29ClN4O4S
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| Canonical SMILES |
CNC(=O)C1=CC2=C(C=C1)C3=C(CCO2)C=C(S3)C(=O)N(C)C4=C(C=C(C=C4)C(=O)N5CCN(CC5)C)Cl
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| InChI |
1S/C28H29ClN4O4S/c1-30-26(34)18-4-6-20-23(15-18)37-13-8-17-16-24(38-25(17)20)28(36)32(3)22-7-5-19(14-21(22)29)27(35)33-11-9-31(2)10-12-33/h4-7,14-16H,8-13H2,1-3H3,(H,30,34)
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| InChIKey |
TVUWQOATJJJPPP-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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