General Information of the Compound
| Compound ID |
CP0910615
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(1H-indazol-6-yl)malonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12ClF3N4O2
|
||||||||||||||||||
| Molecular Weight |
396.756
|
||||||||||||||||||
| Canonical SMILES |
O=C(CC(=O)Nc1ccc2cn[nH]c2c1)Nc1ccc(Cl)c(C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12ClF3N4O2/c18-13-4-3-10(5-12(13)17(19,20)21)23-15(26)7-16(27)24-11-2-1-9-8-22-25-14(9)6-11/h1-6,8H,7H2,(H,22,25)(H,23,26)(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKBRSNPBNAXDFS-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