General Information of the Compound
| Compound ID |
CP0543361
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| Compound Name |
N-[(2S,3S)-3-hydroxy-4-[(2-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-2,2-diphenylacetamide
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| Formula |
C32H34N2O3
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| Molecular Weight |
494.635
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| Canonical SMILES |
COc1ccccc1CNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H34N2O3/c1-37-30-20-12-11-19-27(30)22-33-23-29(35)28(21-24-13-5-2-6-14-24)34-32(36)31(25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-20,28-29,31,33,35H,21-23H2,1H3,(H,34,36)/t28-,29-/m0/s1
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| InChIKey |
MNFKVBXMVYFICG-VMPREFPWSA-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