General Information of the Compound
| Compound ID |
CP0467033
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| Compound Name |
Biphenyl-2-carboxylic acid [4-(8-dimethylamino-5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-2-methoxy-phenyl]-amide
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| Structure |
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| Formula |
C31H31N3O3S
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| Molecular Weight |
525.674
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| Canonical SMILES |
COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCC(N(C)C)c2sccc12
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| InChI |
InChI=1S/C31H31N3O3S/c1-33(2)26-14-9-18-34(27-17-19-38-29(26)27)31(36)22-15-16-25(28(20-22)37-3)32-30(35)24-13-8-7-12-23(24)21-10-5-4-6-11-21/h4-8,10-13,15-17,19-20,26H,9,14,18H2,1-3H3,(H,32,35)
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| InChIKey |
MKNXUJQNACYJMY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound