General Information of the Compound
| Compound ID |
CP0528945
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| Compound Name |
2-[2-(1H-benzimidazol-2-yl)phenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C31H27N3O3
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| Molecular Weight |
489.575
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1
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| InChI |
InChI=1S/C31H27N3O3/c1-2-10-26(20-11-4-3-5-12-20)34-30(35)21-17-18-23(25(19-21)31(36)37)22-13-6-7-14-24(22)29-32-27-15-8-9-16-28(27)33-29/h3-9,11-19,26H,2,10H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t26-/m1/s1
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| InChIKey |
SHVOLFBKUFZKOC-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