General Information of the Compound
| Compound ID |
CP0457917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(6-(bis(3-hydroxypropyl)amino)pyrimidin-4-ylamino)-N-(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25F4N7O3S
|
||||||||||||||||||
| Molecular Weight |
591.591
|
||||||||||||||||||
| Canonical SMILES |
OCCCN(CCCO)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25F4N7O3S/c27-20-8-5-17(13-19(20)26(28,29)30)23-34-25(41-36-23)35-24(40)16-3-6-18(7-4-16)33-21-14-22(32-15-31-21)37(9-1-11-38)10-2-12-39/h3-8,13-15,38-39H,1-2,9-12H2,(H,31,32,33)(H,34,35,36,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLSRHVNTCSEDDC-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