General Information of the Compound
| Compound ID |
CP0502099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl N-[3-chloro-5-[[[4-cyclopentyloxy-6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-yl]amino]methyl]phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
557.16
|
||||||||||||||||||
| Canonical SMILES |
CCc1sc(CCc2cc(OC3CCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37ClN4O3S/c1-5-26-19(4)32-28(38-26)11-10-22-15-25(37-24-8-6-7-9-24)16-27(33-22)31-17-20-12-21(30)14-23(13-20)34-29(35)36-18(2)3/h12-16,18,24H,5-11,17H2,1-4H3,(H,31,33)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZPUBUNYFARCTO-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