General Information of the Compound
| Compound ID |
CP0179797
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| Compound Name |
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C28H37N5O2
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| Molecular Weight |
475.637
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| Canonical SMILES |
CC(C)(OCCN1CCCC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCC(C)(C)CC1
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| InChI |
InChI=1S/C28H37N5O2/c1-27(2)11-9-20(10-12-27)23-17-21(28(3,4)35-16-15-33-13-5-6-14-33)7-8-24(23)32-26(34)25-30-19-22(18-29)31-25/h7-9,17,19H,5-6,10-16H2,1-4H3,(H,30,31)(H,32,34)
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| InChIKey |
SXHIZYRFWJFSEN-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