General Information of the Compound
| Compound ID |
CP0560154
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 26
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H25N7O3S
|
||||||||||||||||||
| Molecular Weight |
587.665
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccn2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H25N7O3S/c40-30(37-32-35-26-9-1-2-10-27(26)43-32)24-8-5-6-20-13-15-38(19-25(20)24)28-12-11-23(29(36-28)31(41)42)21-16-34-39(17-21)18-22-7-3-4-14-33-22/h1-12,14,16-17H,13,15,18-19H2,(H,41,42)(H,35,37,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGRLPJUBIXNDQT-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