General Information of the Compound
| Compound ID |
CP0545753
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| Compound Name |
N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
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| Formula |
C31H32N2O2
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| Molecular Weight |
464.609
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| Canonical SMILES |
O[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H32N2O2/c34-29(23-32-22-25-15-7-2-8-16-25)28(21-24-13-5-1-6-14-24)33-31(35)30(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-30,32,34H,21-23H2,(H,33,35)/t28-,29-/m0/s1
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| InChIKey |
PRXGHCUDNWBFEE-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