General Information of the Compound
| Compound ID |
CP0473196
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| Compound Name |
2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'-(4-chlorophenylsulfonamido)-6-methoxybiphenyl-3-yl)acetic acid
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| Structure |
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| Formula |
C32H31ClN2O7S
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| Molecular Weight |
623.127
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| Canonical SMILES |
CCN(Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C32H31ClN2O7S/c1-3-35(32(38)42-21-22-7-5-4-6-8-22)20-24-19-26(34-43(39,40)27-13-10-25(33)11-14-27)12-15-28(24)29-17-23(18-31(36)37)9-16-30(29)41-2/h4-17,19,34H,3,18,20-21H2,1-2H3,(H,36,37)
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| InChIKey |
MLOFWAOGDXRTBH-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