General Information of the Compound
| Compound ID |
CP0560155
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 70
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H36N6O3S
|
||||||||||||||||||
| Molecular Weight |
632.79
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(CC2CCCCC2)c1C1CC1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H36N6O3S/c43-34(40-36-38-29-11-4-5-12-30(29)46-36)26-10-6-9-23-17-18-41(21-28(23)26)31-16-15-25(32(39-31)35(44)45)27-19-37-42(33(27)24-13-14-24)20-22-7-2-1-3-8-22/h4-6,9-12,15-16,19,22,24H,1-3,7-8,13-14,17-18,20-21H2,(H,44,45)(H,38,40,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVJXTXUMENZRDB-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