General Information of the Compound
| Compound ID |
CP0444452
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| Compound Name |
2-(4-chlorophenyl)-5-cyclohexyl-1-(2,6-dichlorophenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C26H25Cl3N2O
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| Molecular Weight |
487.858
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| Canonical SMILES |
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C26H25Cl3N2O/c1-16-23-22(14-15-30(26(23)32)19-6-3-2-4-7-19)31(25-20(28)8-5-9-21(25)29)24(16)17-10-12-18(27)13-11-17/h5,8-13,19H,2-4,6-7,14-15H2,1H3
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| InChIKey |
XVIZDQJZPXDFPV-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