General Information of the Compound
| Compound ID |
CP0171697
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| Compound Name |
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C27H36N6O
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| Molecular Weight |
460.626
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| Canonical SMILES |
CN1CCN(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/C27H36N6O/c1-26(2)10-8-19(9-11-26)22-16-20(27(3,4)33-14-12-32(5)13-15-33)6-7-23(22)31-25(34)24-29-18-21(17-28)30-24/h6-8,16,18H,9-15H2,1-5H3,(H,29,30)(H,31,34)
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| InChIKey |
PABZNWOXICIOPN-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