General Information of the Compound
| Compound ID |
CP0474351
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 91
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N5O6S2
|
||||||||||||||||||
| Molecular Weight |
557.654
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C(C)(C)O)N3CCOCC3)cc(OC)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N5O6S2/c1-25(2,31)21-17(27-22(37-21)29-5-7-34-8-6-29)13-35-18-9-14(32-3)10-19-15(18)11-20(36-19)16-12-30-23(26-16)38-24(28-30)33-4/h9-12,31H,5-8,13H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGTIVZKGALSYFQ-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