General Information of the Compound
| Compound ID |
CP0377767
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15F2N3O2
|
||||||||||||||||||
| Molecular Weight |
343.333
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc([nH]n1)N(Cc1cccc(F)c1)Cc1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15F2N3O2/c19-14-5-1-3-12(7-14)10-23(11-13-4-2-6-15(20)8-13)17-9-16(18(24)25)21-22-17/h1-9H,10-11H2,(H,21,22)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSYKDSYEZBWUIA-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: PT01282, Hydroxycarboxylic acid receptor 2
Protein ID: PT02010, Hydroxycarboxylic acid receptor 3