General Information of the Compound
| Compound ID |
CP0451184
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2-chlorophenyl)methyl]-2-[3-fluoren-9-ylidenepropyl(methyl)amino]-4-hydroxybutanamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H29ClN2O2
|
||||||||||||||||||
| Molecular Weight |
461.005
|
||||||||||||||||||
| Canonical SMILES |
CN(CCC=C1c2ccccc2-c2ccccc12)C(CCO)C(=O)NCc1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29ClN2O2/c1-31(27(16-18-32)28(33)30-19-20-9-2-7-15-26(20)29)17-8-14-25-23-12-5-3-10-21(23)22-11-4-6-13-24(22)25/h2-7,9-15,27,32H,8,16-19H2,1H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QAJPGPJUFIXPGH-UHFFFAOYSA-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: PT04790, Sodium- and chloride-dependent betaine transporter
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3