General Information of the Compound
| Compound ID |
CP0565311
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| Compound Name |
(1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate
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| Formula |
C23H30N2O2
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| Molecular Weight |
366.505
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)OCC2CCCN(Cc3ccccc3)C2)cc1
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| InChI |
InChI=1S/C23H30N2O2/c1-18(2)21-10-12-22(13-11-21)24-23(26)27-17-20-9-6-14-25(16-20)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,20H,6,9,14-17H2,1-2H3,(H,24,26)
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| InChIKey |
LNSFUBYHUNTELH-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