General Information of the Compound
| Compound ID |
CP0557706
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| Compound Name |
(2R,3S)-1-(2,2-dimethylpropylamino)-3-(2,2-diphenylethylamino)-4-phenylbutan-2-ol
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| Formula |
C29H38N2O
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| Molecular Weight |
430.636
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| Canonical SMILES |
CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H38N2O/c1-29(2,3)22-30-21-28(32)27(19-23-13-7-4-8-14-23)31-20-26(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-28,30-32H,19-22H2,1-3H3/t27-,28+/m0/s1
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| InChIKey |
VYNVIHJDBGWNKO-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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3