General Information of the Compound
| Compound ID |
CP0561330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 144
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H38N6O4S
|
||||||||||||||||||
| Molecular Weight |
650.805
|
||||||||||||||||||
| Canonical SMILES |
COCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H38N6O4S/c1-23-27(19-37-42(23)21-36(22-46-2)16-6-3-7-17-36)25-13-14-31(39-32(25)34(44)45)41-18-15-24-9-8-10-26(28(24)20-41)33(43)40-35-38-29-11-4-5-12-30(29)47-35/h4-5,8-14,19H,3,6-7,15-18,20-22H2,1-2H3,(H,44,45)(H,38,40,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYJQPIDQQVZSBA-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