General Information of the Compound
| Compound ID |
CP0391947
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| Compound Name |
N-[(2-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]-4-hydroxybutanamide
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| Structure |
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| Formula |
C28H31ClN2O2
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| Molecular Weight |
463.021
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| Canonical SMILES |
CN(CCC=C(c1ccccc1)c1ccccc1)C(CCO)C(=O)NCc1ccccc1Cl
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| InChI |
InChI=1S/C28H31ClN2O2/c1-31(27(18-20-32)28(33)30-21-24-15-8-9-17-26(24)29)19-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-17,27,32H,10,18-21H2,1H3,(H,30,33)
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| InChIKey |
MOVIWRDBUGATOV-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