General Information of the Compound
| Compound ID |
CP0523056
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| Compound Name |
N-benzyl-2-(4,4-diphenylbutylamino)-4-hydroxybutanamide
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| Structure |
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| Formula |
C27H32N2O2
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| Molecular Weight |
416.565
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| Canonical SMILES |
OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C27H32N2O2/c30-20-18-26(27(31)29-21-22-11-4-1-5-12-22)28-19-10-17-25(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25-26,28,30H,10,17-21H2,(H,29,31)
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| InChIKey |
YSYQQVYTALDEBG-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