General Information of the Compound
| Compound ID |
CP0475172
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-thiadiazol-5-yl]amino]pyridin-3-yl]-[3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22F3N9OS2
|
||||||||||||||||||
| Molecular Weight |
573.63
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(C)c(s1)-c1nsc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F3N9OS2/c1-12-19(38-13(2)31-12)20-33-23(39-34-20)32-18-6-3-14(7-28-18)21(37)36-16-4-5-17(36)11-35(10-16)22-29-8-15(9-30-22)24(25,26)27/h3,6-9,16-17H,4-5,10-11H2,1-2H3,(H,28,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYQZEVWCKWMIEV-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