General Information of the Compound
| Compound ID |
CP0498216
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| Compound Name |
6-{4-[(Biphenyl-2-carbonyl)-amino]-3-chloro-benzoyl}-3,4,5,6-tetrahydro-1H-azepino[4,3,2-cd]indole-2-sulfonic acid
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| Structure |
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| Formula |
C31H24ClN3O5S
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| Molecular Weight |
586.069
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| Canonical SMILES |
OS(=O)(=O)c1[nH]c2cccc3N(CCCc1c23)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)c(Cl)c1
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| InChI |
InChI=1S/C31H24ClN3O5S/c32-24-18-20(15-16-25(24)33-29(36)22-11-5-4-10-21(22)19-8-2-1-3-9-19)31(37)35-17-7-12-23-28-26(13-6-14-27(28)35)34-30(23)41(38,39)40/h1-6,8-11,13-16,18,34H,7,12,17H2,(H,33,36)(H,38,39,40)
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| InChIKey |
BSYJKVFQOQUJQQ-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