General Information of the Compound
| Compound ID |
CP0569584
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2S)-2-(cyclopropylmethoxy)propyl]-3-[5-[2-(2-methoxypyridin-4-yl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N4O3S
|
||||||||||||||||||
| Molecular Weight |
400.504
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccn1)C#Cc1sc(NC(=O)NC[C@H](C)OCC2CC2)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N4O3S/c1-13(27-12-16-4-5-16)11-22-19(25)24-20-23-14(2)17(28-20)7-6-15-8-9-21-18(10-15)26-3/h8-10,13,16H,4-5,11-12H2,1-3H3,(H2,22,23,24,25)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNZSBUCMKQZQGT-ZDUSSCGKSA-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