General Information of the Compound
| Compound ID |
CP0357111
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| Compound Name |
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C24H31N5O2
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| Molecular Weight |
421.545
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| Canonical SMILES |
CC(C)(NCCO)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCC(C)(C)CC1
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| InChI |
InChI=1S/C24H31N5O2/c1-23(2)9-7-16(8-10-23)19-13-17(24(3,4)27-11-12-30)5-6-20(19)29-22(31)21-26-15-18(14-25)28-21/h5-7,13,15,27,30H,8-12H2,1-4H3,(H,26,28)(H,29,31)
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| InChIKey |
NWYBAXOGMLBAQR-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