General Information of the Compound
| Compound ID |
CP0547823
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 225
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27N5O4S
|
||||||||||||||||||
| Molecular Weight |
553.644
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2nc(sc2C)-c2ccc(cc2)C(=O)N(C)C)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27N5O4S/c1-17-6-11-28-31-23(15-35(28)33-17)27-14-22-25(12-21(37-5)13-26(22)39-27)38-16-24-18(2)40-29(32-24)19-7-9-20(10-8-19)30(36)34(3)4/h6-15H,16H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNVXICAYFNQIPF-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