General Information of the Compound
| Compound ID |
CP0418434
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl N-[3-[[[4-butoxy-6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-yl]amino]methyl]-5-chlorophenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
545.149
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37ClN4O3S/c1-6-8-11-35-24-15-22(9-10-27-31-19(5)25(7-2)37-27)32-26(16-24)30-17-20-12-21(29)14-23(13-20)33-28(34)36-18(3)4/h12-16,18H,6-11,17H2,1-5H3,(H,30,32)(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIMKMXRSWFOHST-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