General Information of the Compound
| Compound ID |
CP0481317
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| Compound Name |
4-amino-2-(4-benzhydrylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]butanamide
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| Structure |
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| Formula |
C28H33ClN4O
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| Molecular Weight |
477.052
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| Canonical SMILES |
NCCC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H33ClN4O/c29-25-13-11-22(12-14-25)21-31-28(34)26(15-16-30)32-17-19-33(20-18-32)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-27H,15-21,30H2,(H,31,34)
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| InChIKey |
VCPAESWTSVHRMX-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