General Information of the Compound
| Compound ID |
CP0373513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclopentyl-N-[[2-[4-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N3O3S2
|
||||||||||||||||||
| Molecular Weight |
513.729
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)Cc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N3O3S2/c1-4-29(5-2)18-21-10-12-22(13-11-21)27-28-23(20-34-27)19-30(24-8-6-7-9-24)35(31,32)26-16-14-25(33-3)15-17-26/h10-17,20,24H,4-9,18-19H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQOHHVBBSPVBNM-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