General Information of the Compound
| Compound ID |
CP0428705
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| Compound Name |
5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(3-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C27H25Cl2F3N2O
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| Molecular Weight |
521.41
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| Canonical SMILES |
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccc(c1)C(F)(F)F)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C27H25Cl2F3N2O/c1-16-24-23(12-13-33(26(24)35)20-8-3-2-4-9-20)34(22-11-10-19(28)15-21(22)29)25(16)17-6-5-7-18(14-17)27(30,31)32/h5-7,10-11,14-15,20H,2-4,8-9,12-13H2,1H3
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| InChIKey |
BXPVERGEZGSHOD-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