General Information of the Compound
| Compound ID |
CP0469004
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| Compound Name |
4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbutyl(methyl)amino]butanamide
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| Structure |
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| Formula |
C28H34ClN3O
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| Molecular Weight |
464.053
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| Canonical SMILES |
CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H34ClN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,26-27H,8,13,18-21,30H2,1H3,(H,31,33)
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| InChIKey |
BJMNCHJRROFKRW-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