General Information of the Compound
| Compound ID |
CP0491469
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| Compound Name |
2-[2-(1H-benzimidazol-2-yl)-5-methylphenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C32H29N3O3
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| Molecular Weight |
503.602
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(C)ccc1-c1nc2ccccc2[nH]1)c1ccccc1
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| InChI |
InChI=1S/C32H29N3O3/c1-3-9-27(21-10-5-4-6-11-21)35-31(36)22-15-17-23(26(19-22)32(37)38)25-18-20(2)14-16-24(25)30-33-28-12-7-8-13-29(28)34-30/h4-8,10-19,27H,3,9H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)/t27-/m1/s1
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| InChIKey |
VKFPTSUCHKRPEL-HHHXNRCGSA-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