General Information of the Compound
| Compound ID |
CP0398336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19BrFN3O2
|
||||||||||||||||||
| Molecular Weight |
468.326
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccc(Br)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19BrFN3O2/c1-30-20-12-10-19(11-13-20)26-23(29)28-22(16-4-8-18(25)9-5-16)14-21(27-28)15-2-6-17(24)7-3-15/h2-13,22H,14H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVFQRBAKLYBANP-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: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H