General Information of the Compound
| Compound ID |
CP0404072
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| Compound Name |
2-(4,4-diphenylbutylamino)-N-[(4-fluorophenyl)methyl]-4-hydroxybutanamide
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| Structure |
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| Formula |
C27H31FN2O2
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| Molecular Weight |
434.555
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| Canonical SMILES |
OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1
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| InChI |
InChI=1S/C27H31FN2O2/c28-24-15-13-21(14-16-24)20-30-27(32)26(17-19-31)29-18-7-12-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,25-26,29,31H,7,12,17-20H2,(H,30,32)
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| InChIKey |
QCMRWJQKOMPJOC-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: 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