General Information of the Compound
| Compound ID |
CP0307934
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| Compound Name |
(2-benzylpiperidin-1-yl)-[4-(1-hydroxycyclohexyl)triazol-2-yl]methanone
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| Structure |
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| Formula |
C21H28N4O2
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| Molecular Weight |
368.481
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| Canonical SMILES |
OC1(CCCCC1)c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1
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| InChI |
InChI=1S/C21H28N4O2/c26-20(25-22-16-19(23-25)21(27)12-6-2-7-13-21)24-14-8-5-11-18(24)15-17-9-3-1-4-10-17/h1,3-4,9-10,16,18,27H,2,5-8,11-15H2
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| InChIKey |
FHOSPQWDBMNNDC-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