General Information of the Compound
| Compound ID |
CP0481919
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10058534, 72
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18N2O3S
|
||||||||||||||||||
| Molecular Weight |
426.497
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2c[nH]cn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18N2O3S/c28-19-7-4-17(5-8-19)25-24(22-12-9-20(29)13-23(22)31-25)30-21-10-2-16(3-11-21)1-6-18-14-26-15-27-18/h1-15,28-29H,(H,26,27)/b6-1+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWJKGVBPOPTDAP-LZCJLJQNSA-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