General Information of the Compound
| Compound ID |
CP0562364
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 28
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21F2N7OS
|
||||||||||||||||||
| Molecular Weight |
493.543
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2c(F)c(F)ccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21F2N7OS/c1-14-11-32(9-10-33(14)18(34)12-31-8-6-15-3-2-7-27-23(15)31)24-21(28-13-35-24)22-29-17-5-4-16(25)19(26)20(17)30-22/h2-8,13-14H,9-12H2,1H3,(H,29,30)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSQZCRLSESPXRC-CQSZACIVSA-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