General Information of the Compound
| Compound ID |
CP0444457
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| Compound Name |
4-(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)benzoic acid
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| Structure |
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| Formula |
C27H26Cl2N2O3
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| Molecular Weight |
497.422
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| Canonical SMILES |
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(O)=O)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C27H26Cl2N2O3/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(10-8-17)27(33)34/h7-12,15,20H,2-6,13-14H2,1H3,(H,33,34)
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| InChIKey |
YMECBHZDWSYBIQ-UHFFFAOYSA-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