General Information of the Compound
| Compound ID |
CP0373642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclopentyl-4-methoxy-N-[[2-[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N3O4S2
|
||||||||||||||||||
| Molecular Weight |
577.772
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CNCc2ccc(cc2)-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N3O4S2/c1-37-28-13-9-24(10-14-28)20-32-19-23-7-11-25(12-8-23)31-33-26(22-39-31)21-34(27-5-3-4-6-27)40(35,36)30-17-15-29(38-2)16-18-30/h7-18,22,27,32H,3-6,19-21H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPQMJUGTEBCYES-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01840, Vasopressin V1b receptor