General Information of the Compound
| Compound ID |
CP0286094
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| Compound Name |
(2-benzylpiperidin-1-yl)-[4-[dicyclohexyl(hydroxy)methyl]triazol-2-yl]methanone
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| Structure |
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| Formula |
C28H40N4O2
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| Molecular Weight |
464.654
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| Canonical SMILES |
OC(C1CCCCC1)(C1CCCCC1)c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1
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| InChI |
InChI=1S/C28H40N4O2/c33-27(31-19-11-10-18-25(31)20-22-12-4-1-5-13-22)32-29-21-26(30-32)28(34,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1,4-5,12-13,21,23-25,34H,2-3,6-11,14-20H2
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| InChIKey |
LPDBAMMMZZZFNO-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