General Information of the Compound
| Compound ID |
CP0437611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]azepan-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
484.021
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(sc1C(=O)NCC1CCCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26ClN3O3S/c1-16-22(33-24(28-16)18-8-10-20(26)11-9-18)23(30)27-14-17-5-2-3-12-29(15-17)21-7-4-6-19(13-21)25(31)32/h4,6-11,13,17H,2-3,5,12,14-15H2,1H3,(H,27,30)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFSNFAACGIIXDJ-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