General Information of the Compound
| Compound ID |
CP0501031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 186
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20FN5O4S2
|
||||||||||||||||||
| Molecular Weight |
549.609
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(cc1)-c1nc(COc2cc(F)cc3oc(cc23)-c2cn3nc(OC)sc3n2)c(C)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20FN5O4S2/c1-13-19(29-24(37-13)15-6-4-14(5-7-15)23(33)28-2)12-35-20-8-16(27)9-21-17(20)10-22(36-21)18-11-32-25(30-18)38-26(31-32)34-3/h4-11H,12H2,1-3H3,(H,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMUANKFHEOIZNN-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