General Information of the Compound
| Compound ID |
CP0502797
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl N-[3-chloro-5-[[[6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-methoxypyridin-2-yl]amino]methyl]phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
503.068
|
||||||||||||||||||
| Canonical SMILES |
CCc1sc(CCc2cc(OC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31ClN4O3S/c1-6-22-16(4)28-24(34-22)8-7-19-12-21(32-5)13-23(29-19)27-14-17-9-18(26)11-20(10-17)30-25(31)33-15(2)3/h9-13,15H,6-8,14H2,1-5H3,(H,27,29)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQVMPYXBAWGXGN-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