General Information of the Compound
| Compound ID |
CP0325690
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| Compound Name |
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C26H34N6O2
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| Molecular Weight |
462.598
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| Canonical SMILES |
CC1(C)CCC(=CC1)c1cc(CN2CCN(CCO)CC2)ccc1NC(=O)c1ncc([nH]1)C#N
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| InChI |
InChI=1S/C26H34N6O2/c1-26(2)7-5-20(6-8-26)22-15-19(18-32-11-9-31(10-12-32)13-14-33)3-4-23(22)30-25(34)24-28-17-21(16-27)29-24/h3-5,15,17,33H,6-14,18H2,1-2H3,(H,28,29)(H,30,34)
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| InChIKey |
ZRBHOXZJRFQVDF-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