General Information of the Compound
| Compound ID |
CP0445868
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| Compound Name |
2-[5-chloro-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C30H25ClN4O3
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| Molecular Weight |
525.008
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2ccncc2[nH]1)c1ccccc1
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| InChI |
InChI=1S/C30H25ClN4O3/c1-2-6-25(18-7-4-3-5-8-18)35-29(36)19-9-11-21(24(15-19)30(37)38)23-16-20(31)10-12-22(23)28-33-26-13-14-32-17-27(26)34-28/h3-5,7-17,25H,2,6H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1
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| InChIKey |
CVFGGEBKQHDEBQ-RUZDIDTESA-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