General Information of the Compound
| Compound ID |
CP0549668
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| Compound Name |
(1-benzylpiperidin-3-yl) N-(4-propan-2-ylphenyl)carbamate
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| Formula |
C22H28N2O2
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| Molecular Weight |
352.478
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)OC2CCCN(Cc3ccccc3)C2)cc1
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| InChI |
InChI=1S/C22H28N2O2/c1-17(2)19-10-12-20(13-11-19)23-22(25)26-21-9-6-14-24(16-21)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3,(H,23,25)
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| InChIKey |
PCRCEFXLDHXCPZ-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B