General Information of the Compound
| Compound ID |
CP0548125
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| Compound Name |
N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
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| Formula |
C32H34N2O2
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| Molecular Weight |
478.636
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| Canonical SMILES |
O[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H34N2O2/c35-31(24-33-23-26-15-7-2-8-16-26)30(21-25-13-5-1-6-14-25)34-32(36)22-29(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31,33,35H,21-24H2,(H,34,36)/t30-,31-/m0/s1
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| InChIKey |
YOQXSWBHQDKMDY-CONSDPRKSA-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: PT02526, Sodium- and chloride-dependent GABA transporter 3
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3