General Information of the Compound
| Compound ID |
CP0379512
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-cyano-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]indazol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21F3N4O3
|
||||||||||||||||||
| Molecular Weight |
470.451
|
||||||||||||||||||
| Canonical SMILES |
CCN(Cc1cc(ccc1-c1nn(CC(O)=O)c2cccc(C#N)c12)C(F)(F)F)C(=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21F3N4O3/c1-2-30(23(34)14-6-7-14)12-16-10-17(24(25,26)27)8-9-18(16)22-21-15(11-28)4-3-5-19(21)31(29-22)13-20(32)33/h3-5,8-10,14H,2,6-7,12-13H2,1H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTRUMEZBFVMBQS-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