General Information of the Compound
| Compound ID |
CP0534632
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| Compound Name |
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
O=C(Nc1ccccc1)OCC1CCN(CC1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C22H26N2O2/c25-22(23-20-8-2-1-3-9-20)26-16-17-10-12-24(13-11-17)21-14-18-6-4-5-7-19(18)15-21/h1-9,17,21H,10-16H2,(H,23,25)
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| InChIKey |
TVXNBKDMGAGSDZ-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