General Information of the Compound
| Compound ID |
CP0209543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-yn-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N2O3S
|
||||||||||||||||||
| Molecular Weight |
356.447
|
||||||||||||||||||
| Canonical SMILES |
CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N2O3S/c1-13(21-14(2)22)3-10-18-11-20-19(25-18)24-17-8-6-16(7-9-17)23-12-15-4-5-15/h6-9,11,13,15H,4-5,12H2,1-2H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CCHGSRYMRVUQFN-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