General Information of the Compound
| Compound ID |
CP0525184
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 56
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H30N6O4S
|
||||||||||||||||||
| Molecular Weight |
594.697
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(CC2CCCOC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H30N6O4S/c39-30(36-32-34-26-8-1-2-9-27(26)43-32)24-7-3-6-21-12-13-37(18-25(21)24)28-11-10-23(29(35-28)31(40)41)22-15-33-38(17-22)16-20-5-4-14-42-19-20/h1-3,6-11,15,17,20H,4-5,12-14,16,18-19H2,(H,40,41)(H,34,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RYLYKMUOJBVPPS-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