General Information of the Compound
| Compound ID |
CP0173527
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| Compound Name |
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(pyridin-2-ylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C27H30N6O
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| Molecular Weight |
454.578
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| Canonical SMILES |
CC(C)(Nc1ccccn1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCC(C)(C)CC1
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| InChI |
InChI=1S/C27H30N6O/c1-26(2)12-10-18(11-13-26)21-15-19(27(3,4)33-23-7-5-6-14-29-23)8-9-22(21)32-25(34)24-30-17-20(16-28)31-24/h5-10,14-15,17H,11-13H2,1-4H3,(H,29,33)(H,30,31)(H,32,34)
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| InChIKey |
JFSLOZHMGUEVQJ-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