General Information of the Compound
| Compound ID |
CP0397318
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| Compound Name |
4-amino-2-(4-benzhydrylpiperidin-1-yl)-N-[(4-methylphenyl)methyl]butanamide
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| Structure |
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| Formula |
C30H37N3O
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| Molecular Weight |
455.646
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| Canonical SMILES |
Cc1ccc(CNC(=O)C(CCN)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C30H37N3O/c1-23-12-14-24(15-13-23)22-32-30(34)28(16-19-31)33-20-17-27(18-21-33)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-29H,16-22,31H2,1H3,(H,32,34)
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| InChIKey |
DVJNJECXHHZMFU-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: PT04790, Sodium- and chloride-dependent betaine transporter
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3