General Information of the Compound
| Compound ID |
CP0564670
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| Compound Name |
N-[(2S,3R)-4-(cyclopropylmethylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
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| Formula |
C29H34N2O2
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| Molecular Weight |
442.603
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| Canonical SMILES |
O[C@H](CNCC1CC1)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H34N2O2/c32-28(21-30-20-23-16-17-23)27(18-22-10-4-1-5-11-22)31-29(33)19-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26-28,30,32H,16-21H2,(H,31,33)/t27-,28+/m0/s1
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| InChIKey |
FNHPSIAGJOGIQE-WUFINQPMSA-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: PT03076, Sodium- and chloride-dependent GABA transporter 3