General Information of the Compound
| Compound ID |
CP0445870
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| Compound Name |
2-[5-chloro-2-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C32H28ClN3O3
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| Molecular Weight |
538.047
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cc(C)ccc2[nH]1)c1ccccc1
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| InChI |
InChI=1S/C32H28ClN3O3/c1-3-7-27(20-8-5-4-6-9-20)36-31(37)21-11-13-23(26(17-21)32(38)39)25-18-22(33)12-14-24(25)30-34-28-15-10-19(2)16-29(28)35-30/h4-6,8-18,27H,3,7H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-/m1/s1
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| InChIKey |
IBBGIFWIAFIMHZ-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