General Information of the Compound
| Compound ID |
CP0488811
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062059, 3-19
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17ClFN7OS
|
||||||||||||||||||
| Molecular Weight |
421.889
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)c2F)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17ClFN7OS/c1-8-25-26-13(28-8)6-22-15-14(19)16(24-17(20)23-15)27-7-9-4-11(9)12-3-2-10(18)5-21-12/h2-3,5,9,11H,4,6-7H2,1H3,(H3,20,22,23,24)/t9-,11+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFLGUZPXXRCRHE-KOLCDFICSA-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