General Information of the Compound
| Compound ID |
CP0548359
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3R)-4-[(3-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C35H40N2O2
|
||||||||||||||||||
| Molecular Weight |
520.717
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H40N2O2/c1-35(2,3)30-21-13-16-27(22-30)24-36-25-32(38)31(23-26-14-7-4-8-15-26)37-34(39)33(28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-22,31-33,36,38H,23-25H2,1-3H3,(H,37,39)/t31-,32+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDZZTBAHBJUANF-AJQTZOPKSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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