General Information of the Compound
| Compound ID |
CP0436858
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclopentyl-4-methoxy-N-[[2-[4-[(2-methylpropylamino)methyl]phenyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N3O3S2
|
||||||||||||||||||
| Molecular Weight |
513.729
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC(C)C)cc1)C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N3O3S2/c1-20(2)16-28-17-21-8-10-22(11-9-21)27-29-23(19-34-27)18-30(24-6-4-5-7-24)35(31,32)26-14-12-25(33-3)13-15-26/h8-15,19-20,24,28H,4-7,16-18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LZSJGBRKLXWGBL-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