General Information of the Compound
| Compound ID |
CP0272815
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266869, 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21N3O4S
|
||||||||||||||||||
| Molecular Weight |
447.516
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S1(=O)CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21N3O4S/c1-17-9-10-31-22(17)24(29)26-21-6-4-5-18(14-21)7-8-19-13-20(16-25-15-19)23(28)27-32(30)11-2-3-12-32/h4-6,9-10,13-16H,2-3,11-12H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDMQGCSGNALEEM-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