General Information of the Compound
| Compound ID |
CP0501072
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| Compound Name |
5-cyclohexyl-2-(4-methoxyphenyl)-3-methyl-1-o-tolyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C28H32N2O2
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| Molecular Weight |
428.576
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| Canonical SMILES |
COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccccc1C
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| InChI |
InChI=1S/C28H32N2O2/c1-19-9-7-8-12-24(19)30-25-17-18-29(22-10-5-4-6-11-22)28(31)26(25)20(2)27(30)21-13-15-23(32-3)16-14-21/h7-9,12-16,22H,4-6,10-11,17-18H2,1-3H3
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| InChIKey |
BMSYHOXBUFTKQX-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