General Information of the Compound
| Compound ID |
CP0442856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9199981, F124
Show/Hide
|
||||||||||||||||||
| Formula |
C25H26N6O3
|
||||||||||||||||||
| Molecular Weight |
458.522
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)[C@@H]1C[C@@H](C1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N6O3/c1-16-5-6-17(14-20(16)27-24(32)21-15-26-22-4-2-3-7-31(21)22)23-28-25(34-29-23)18-12-19(13-18)30-8-10-33-11-9-30/h2-7,14-15,18-19H,8-13H2,1H3,(H,27,32)/t18-,19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYZVPSXFDGNLTL-KDURUIRLSA-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 | |||||||||||||||||||
| 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