General Information of the Compound
| Compound ID |
CP0470649
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 39
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H28N6O4S
|
||||||||||||||||||
| Molecular Weight |
628.714
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(c1)C1CCOc2ccccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H28N6O4S/c42-33(39-35-37-27-9-2-4-11-30(27)46-35)24-8-5-6-21-14-16-40(20-26(21)24)31-13-12-23(32(38-31)34(43)44)22-18-36-41(19-22)28-15-17-45-29-10-3-1-7-25(28)29/h1-13,18-19,28H,14-17,20H2,(H,43,44)(H,37,39,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBFUNUVJZPCLPK-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