General Information of the Compound
| Compound ID |
CP0532377
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| Compound Name |
5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-(methylthio)phenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C27H28Cl2N2OS
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| Molecular Weight |
499.507
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| Canonical SMILES |
CSc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C27H28Cl2N2OS/c1-17-25-24(14-15-30(27(25)32)20-6-4-3-5-7-20)31(23-13-10-19(28)16-22(23)29)26(17)18-8-11-21(33-2)12-9-18/h8-13,16,20H,3-7,14-15H2,1-2H3
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| InChIKey |
JYCQSWWXQXTTRX-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