General Information of the Compound
| Compound ID |
CP0522321
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| Compound Name |
5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-m-tolyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C27H28Cl2N2O
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| Molecular Weight |
467.44
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| Canonical SMILES |
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccc(C)c1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C27H28Cl2N2O/c1-17-7-6-8-19(15-17)26-18(2)25-24(31(26)23-12-11-20(28)16-22(23)29)13-14-30(27(25)32)21-9-4-3-5-10-21/h6-8,11-12,15-16,21H,3-5,9-10,13-14H2,1-2H3
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| InChIKey |
QMNRCJLDOUOGJJ-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