General Information of the Compound
| Compound ID |
CP0508077
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| Compound Name |
(2-benzylpiperidin-1-yl)-[4-(2-hydroxypropan-2-yl)triazol-2-yl]methanone
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| Structure |
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| Formula |
C18H24N4O2
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| Molecular Weight |
328.416
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| Canonical SMILES |
CC(C)(O)c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1
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| InChI |
InChI=1S/C18H24N4O2/c1-18(2,24)16-13-19-22(20-16)17(23)21-11-7-6-10-15(21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15,24H,6-7,10-12H2,1-2H3
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| InChIKey |
IIJGLEWKHLPMBB-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