General Information of the Compound
| Compound ID |
CP0959843
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9328120, 22
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClF2N5OS
|
||||||||||||||||||
| Molecular Weight |
425.892
|
||||||||||||||||||
| Canonical SMILES |
O=c1[nH]c([C@@H]2CC[C@H]2c2csc(Cl)n2)nc2c1cnn2C1CCC(F)(F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18ClF2N5OS/c19-17-23-13(8-28-17)10-1-2-11(10)14-24-15-12(16(27)25-14)7-22-26(15)9-3-5-18(20,21)6-4-9/h7-11H,1-6H2,(H,24,25,27)/t10-,11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIFJKLGHHMCXCK-GHMZBOCLSA-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