General Information of the Compound
| Compound ID |
CP0404030
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| Compound Name |
2-(4,4-diphenylbutylamino)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide
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| Structure |
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| Formula |
C28H34N2O2
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| Molecular Weight |
430.592
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| Canonical SMILES |
Cc1ccc(CNC(=O)C(CCO)NCCCC(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H34N2O2/c1-22-14-16-23(17-15-22)21-30-28(32)27(18-20-31)29-19-8-13-26(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-12,14-17,26-27,29,31H,8,13,18-21H2,1H3,(H,30,32)
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| InChIKey |
IMMJZNNHCPCRRW-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