General Information of the Compound
| Compound ID |
CP0464849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9206164, 75
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25FN4O3
|
||||||||||||||||||
| Molecular Weight |
436.487
|
||||||||||||||||||
| Canonical SMILES |
CCc1nn(Cc2ccc(cc2F)-c2nc3cc(OC)ccc3[nH]2)c(CC)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25FN4O3/c1-4-19-17(12-23(30)31)22(5-2)29(28-19)13-15-7-6-14(10-18(15)25)24-26-20-9-8-16(32-3)11-21(20)27-24/h6-11H,4-5,12-13H2,1-3H3,(H,26,27)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOZFCNNCFWUBEA-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