General Information of the Compound
| Compound ID |
CP0317623
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
Show/Hide
|
||||||||||||||||||
| Formula |
C33H36N2O3
|
||||||||||||||||||
| Molecular Weight |
508.662
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36N2O3/c1-38-29-19-11-14-26(20-29)23-34-24-32(36)31(21-25-12-5-2-6-13-25)35-33(37)22-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-20,30-32,34,36H,21-24H2,1H3,(H,35,37)/t31-,32+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDNMOSILVHRALK-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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3