General Information of the Compound
| Compound ID |
CP0456641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-Chloro-5-{[6-[2-(5-ethyl-4-methyl-thiazol-2-yl)-ethyl]-4-(1-ethyl-propoxy)-pyridin-2-ylamino]-methyl}-phenyl)-carbamic acid isopropyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
559.176
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)Oc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39ClN4O3S/c1-7-24(8-2)37-25-15-22(10-11-28-32-19(6)26(9-3)38-28)33-27(16-25)31-17-20-12-21(30)14-23(13-20)34-29(35)36-18(4)5/h12-16,18,24H,7-11,17H2,1-6H3,(H,31,33)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQBWKRQJPJUWGX-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