General Information of the Compound
| Compound ID |
CP0139167
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9546153, ex. 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N5O2S
|
||||||||||||||||||
| Molecular Weight |
413.547
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCC(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N5O2S/c1-13(2)25-17-10-19(26-14-5-6-16-18(9-14)29-12-24-16)23-11-15(17)20(27)22-8-7-21(3,4)28/h5-6,9-13,28H,7-8H2,1-4H3,(H,22,27)(H2,23,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHLXRGNIXZDNBK-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