General Information of the Compound
| Compound ID |
CP0533815
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| Compound Name |
2-[2-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C31H26ClN3O3
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| Molecular Weight |
524.02
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cl)cc1-c1nc2ccccc2[nH]1)c1ccccc1
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| InChI |
InChI=1S/C31H26ClN3O3/c1-2-8-26(19-9-4-3-5-10-19)35-30(36)20-13-15-23(25(17-20)31(37)38)22-16-14-21(32)18-24(22)29-33-27-11-6-7-12-28(27)34-29/h3-7,9-18,26H,2,8H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t26-/m1/s1
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| InChIKey |
WERLXJJEXZLEAY-AREMUKBSSA-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