General Information of the Compound
| Compound ID |
CP0250525
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8901140, 9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
469.948
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25ClFN5O2/c1-3-33-22-13-20-17(12-21(22)30-23(32)9-7-16-5-4-10-31(16)2)24(28-14-27-20)29-15-6-8-19(26)18(25)11-15/h6-9,11-14,16H,3-5,10H2,1-2H3,(H,30,32)(H,27,28,29)/b9-7+/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JZQOPZNZLUYLTR-MNDMWVCDSA-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