General Information of the Compound
| Compound ID |
CP0226619
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| Compound Name |
N-[4-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C29H38N6O2
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| Molecular Weight |
502.663
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| Canonical SMILES |
CC(=O)N1CCN(CC(C)(C)c2ccc(NC(=O)c3ncc([nH]3)C#N)c(c2)C2=CCC(C)(C)CC2)CC1
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| InChI |
InChI=1S/C29H38N6O2/c1-20(36)35-14-12-34(13-15-35)19-29(4,5)22-6-7-25(33-27(37)26-31-18-23(17-30)32-26)24(16-22)21-8-10-28(2,3)11-9-21/h6-8,16,18H,9-15,19H2,1-5H3,(H,31,32)(H,33,37)
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| InChIKey |
DALZRKQIMZJIKH-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