General Information of the Compound
| Compound ID |
CP0467342
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| Compound Name |
Biphenyl-2-carboxylic acid [4-(2-chloro-1,3,4,5-tetrahydro-azepino[4,3,2-cd]indole-6-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C31H24ClN3O2
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| Molecular Weight |
506.005
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| Canonical SMILES |
Clc1[nH]c2cccc3N(CCCc1c23)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C31H24ClN3O2/c32-29-25-12-7-19-35(27-14-6-13-26(34-29)28(25)27)31(37)21-15-17-22(18-16-21)33-30(36)24-11-5-4-10-23(24)20-8-2-1-3-9-20/h1-6,8-11,13-18,34H,7,12,19H2,(H,33,36)
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| InChIKey |
LCWGFXLERWCYTN-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