General Information of the Compound
| Compound ID |
CP0396144
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| Compound Name |
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C21H32N2O3
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| Molecular Weight |
360.498
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| Canonical SMILES |
OC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
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| InChI |
InChI=1S/C21H32N2O3/c24-21(25)19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)26-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2,(H,24,25)
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| InChIKey |
GMRWCGDPKMVQCK-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