General Information of the Compound
| Compound ID |
CP0068409
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19N5O3S2
|
||||||||||||||||||
| Molecular Weight |
477.571
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)s2)cc1Nc1ncc(s1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19N5O3S2/c1-14-4-5-16(26-22(30)19-8-6-17(32-19)7-9-21(29)28-31)11-18(14)27-23-25-13-20(33-23)15-3-2-10-24-12-15/h2-13,31H,1H3,(H,25,27)(H,26,30)(H,28,29)/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSKZXGROFJZYER-VQHVLOKHSA-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