General Information of the Compound
| Compound ID |
CP0545775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 182
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26FN5O4S2
|
||||||||||||||||||
| Molecular Weight |
591.69
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)C(C)(C)C)cc(F)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26FN5O4S2/c1-29(2,3)34(4)26(36)17-8-6-16(7-9-17)25-31-19(15-40-25)14-38-22-10-18(30)11-23-20(22)12-24(39-23)21-13-35-27(32-21)41-28(33-35)37-5/h6-13,15H,14H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRPKERMUANSJAY-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