General Information of the Compound
| Compound ID |
CP0909466
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-methyl-1H-indazol-6-yl)malonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14ClF3N4O2
|
||||||||||||||||||
| Molecular Weight |
410.783
|
||||||||||||||||||
| Canonical SMILES |
Cc1n[nH]c2cc(NC(=O)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14ClF3N4O2/c1-9-12-4-2-11(7-15(12)26-25-9)24-17(28)8-16(27)23-10-3-5-14(19)13(6-10)18(20,21)22/h2-7H,8H2,1H3,(H,23,27)(H,24,28)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXADHTQOQNYCBR-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