General Information of the Compound
| Compound ID |
CP0552498
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| Compound Name |
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate
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| Formula |
C25H32N2O2
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| Molecular Weight |
392.543
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)OCC2CCCN(C2)C2Cc3ccccc3C2)cc1
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| InChI |
InChI=1S/C25H32N2O2/c1-18(2)20-9-11-23(12-10-20)26-25(28)29-17-19-6-5-13-27(16-19)24-14-21-7-3-4-8-22(21)15-24/h3-4,7-12,18-19,24H,5-6,13-17H2,1-2H3,(H,26,28)
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| InChIKey |
UOOJEAOFHZRSSH-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