General Information of the Compound
| Compound ID |
CP0465171
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| Compound Name |
1-(2-chlorophenyl)-5-cyclohexyl-2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C27H29ClN2O2
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| Molecular Weight |
448.994
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| Canonical SMILES |
COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccccc1Cl
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| InChI |
InChI=1S/C27H29ClN2O2/c1-18-25-24(16-17-29(27(25)31)20-8-4-3-5-9-20)30(23-11-7-6-10-22(23)28)26(18)19-12-14-21(32-2)15-13-19/h6-7,10-15,20H,3-5,8-9,16-17H2,1-2H3
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| InChIKey |
JRVWFHJARYIPGM-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