General Information of the Compound
| Compound ID |
CP0222021
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| Compound Name |
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C28H38N6O
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| Molecular Weight |
474.653
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| Canonical SMILES |
CCN1CCN(CC1)C(C)(C)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCC(C)(C)CC1
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| InChI |
InChI=1S/C28H38N6O/c1-6-33-13-15-34(16-14-33)28(4,5)21-7-8-24(32-26(35)25-30-19-22(18-29)31-25)23(17-21)20-9-11-27(2,3)12-10-20/h7-9,17,19H,6,10-16H2,1-5H3,(H,30,31)(H,32,35)
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| InChIKey |
ZNXXPZKXDKVVIC-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