General Information of the Compound
| Compound ID |
CP0700335
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9260440, 27
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H14FN3O2
|
||||||||||||||||||
| Molecular Weight |
287.294
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H14FN3O2/c1-15(2)5-9-11-10-7(14(21)19-18-9)3-6(16)4-8(10)17-12(11)13(15)20/h3-4,13,17,20H,5H2,1-2H3,(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVEKOZNCZJHWEH-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