General Information of the Compound
| Compound ID |
CP0549901
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 36
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H26N6O4S
|
||||||||||||||||||
| Molecular Weight |
602.676
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H26N6O4S/c40-27-10-3-1-6-21(27)17-39-18-22(16-34-39)23-12-13-29(36-30(23)32(42)43)38-15-14-20-7-5-8-24(25(20)19-38)31(41)37-33-35-26-9-2-4-11-28(26)44-33/h1-13,16,18,40H,14-15,17,19H2,(H,42,43)(H,35,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBTDCSYMCVHVNA-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