General Information of the Compound
| Compound ID |
CP0559061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4-fluorophenyl)methyl-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27FN6O3S
|
||||||||||||||||||
| Molecular Weight |
534.617
|
||||||||||||||||||
| Canonical SMILES |
ONC(=O)\C=C\c1ccc(CN(Cc2ccc(F)cc2)c2ncc(s2)C(=O)NCCCn2ccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27FN6O3S/c28-23-9-6-22(7-10-23)18-34(17-21-4-2-20(3-5-21)8-11-25(35)32-37)27-31-16-24(38-27)26(36)30-12-1-14-33-15-13-29-19-33/h2-11,13,15-16,19,37H,1,12,14,17-18H2,(H,30,36)(H,32,35)/b11-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MINLAVWRIIAIGN-DHZHZOJOSA-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