General Information of the Compound
| Compound ID |
CP0551262
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11,13-dimethyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16F3N7S
|
||||||||||||||||||
| Molecular Weight |
431.447
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NC3CN(C3)c3ncc(cn3)C(F)(F)F)ncnc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16F3N7S/c1-9-3-10(2)27-17-13(9)14-15(30-17)16(26-8-25-14)28-12-6-29(7-12)18-23-4-11(5-24-18)19(20,21)22/h3-5,8,12H,6-7H2,1-2H3,(H,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IITUSZYDWNRBST-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 | |||||||||||||||||||
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