General Information of the Compound
| Compound ID |
CP0567694
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9464076, 98
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25N3O4S
|
||||||||||||||||||
| Molecular Weight |
487.581
|
||||||||||||||||||
| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(cccc4n3)C(=O)N3CCC3)c(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25N3O4S/c1-15-23-17(14-34-3)8-9-18(16(2)31)25(23)35-24(15)26(32)29-22-11-10-19-20(6-4-7-21(19)28-22)27(33)30-12-5-13-30/h4,6-11H,5,12-14H2,1-3H3,(H,28,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHFUZUYHKKPKJQ-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