General Information of the Compound
| Compound ID |
CP0515072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 92
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H36N6O3S
|
||||||||||||||||||
| Molecular Weight |
620.779
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CCCC(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H36N6O3S/c1-35(2)15-6-7-22(17-35)19-41-20-24(18-36-41)25-12-13-30(38-31(25)33(43)44)40-16-14-23-8-5-9-26(27(23)21-40)32(42)39-34-37-28-10-3-4-11-29(28)45-34/h3-5,8-13,18,20,22H,6-7,14-17,19,21H2,1-2H3,(H,43,44)(H,37,39,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQDYWDZCLGSDRP-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