General Information of the Compound
| Compound ID |
CP0560987
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| Compound Name |
N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
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| Formula |
C21H29N5O
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| Molecular Weight |
367.497
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| Canonical SMILES |
Cc1ccc(cc1)-n1cc(nn1)C(=O)NC1CCN(CC1)C1CCCCC1
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| InChI |
InChI=1S/C21H29N5O/c1-16-7-9-19(10-8-16)26-15-20(23-24-26)21(27)22-17-11-13-25(14-12-17)18-5-3-2-4-6-18/h7-10,15,17-18H,2-6,11-14H2,1H3,(H,22,27)
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| InChIKey |
OWOUFCRMNVUVLA-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