General Information of the Compound
| Compound ID |
CP0128902
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| Compound Name |
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-2-yl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C29H40N6O2
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| Molecular Weight |
504.679
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| Canonical SMILES |
CC(C)(CN1CCN(CCO)CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCC(C)(C)CC1
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| InChI |
InChI=1S/C29H40N6O2/c1-28(2)9-7-21(8-10-28)24-17-22(29(3,4)20-35-13-11-34(12-14-35)15-16-36)5-6-25(24)33-27(37)26-31-19-23(18-30)32-26/h5-7,17,19,36H,8-16,20H2,1-4H3,(H,31,32)(H,33,37)
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| InChIKey |
VZBIYJBIGRPSOL-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