General Information of the Compound
Compound ID |
CP0435001
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Compound Name |
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
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Structure |
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Formula |
C29H32Cl2N2O
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Molecular Weight |
495.494
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Canonical SMILES |
Clc1ccc(cc1)C(C(=O)NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
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InChI |
InChI=1S/C29H32Cl2N2O/c30-26-11-7-24(8-12-26)28(25-9-13-27(31)14-10-25)29(34)32-17-4-18-33-19-15-23(16-20-33)21-22-5-2-1-3-6-22/h1-3,5-14,23,28H,4,15-21H2,(H,32,34)
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InChIKey |
WMWWIRQFIVCLLM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter