General Information of the Compound
| Compound ID |
CP0408536
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3,4-Difluoro-benzyl)-2H-[1,2,3]triazol-4-yl]-2-(1-methyl-1H-indazol-5-yl)-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16F2N6O
|
||||||||||||||||||
| Molecular Weight |
382.374
|
||||||||||||||||||
| Canonical SMILES |
Cn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)c(F)c4)n3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16F2N6O/c1-26-17-5-3-12(6-14(17)9-22-26)8-19(28)24-18-10-23-27(25-18)11-13-2-4-15(20)16(21)7-13/h2-7,9-10H,8,11H2,1H3,(H,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AXNHBUZCZYTXFH-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
Protein ID: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I