General Information of the Compound
| Compound ID |
CP0536813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 78
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H39N7O5S
|
||||||||||||||||||
| Molecular Weight |
693.83
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H39N7O5S/c1-37(2,3)49-36(48)42-16-13-23(14-17-42)20-44-21-25(19-38-44)26-11-12-31(40-32(26)34(46)47)43-18-15-24-7-6-8-27(28(24)22-43)33(45)41-35-39-29-9-4-5-10-30(29)50-35/h4-12,19,21,23H,13-18,20,22H2,1-3H3,(H,46,47)(H,39,41,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXAJITKMXDFUJL-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