General Information of the Compound
| Compound ID |
CP0931477
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-cyclopropyl-1-(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N3O2
|
||||||||||||||||||
| Molecular Weight |
321.38
|
||||||||||||||||||
| Canonical SMILES |
O=C(CC1CC1)N1N=C(c2cccnc2)CC1c1ccccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N3O2/c23-18-6-2-1-5-15(18)17-11-16(14-4-3-9-20-12-14)21-22(17)19(24)10-13-7-8-13/h1-6,9,12-13,17,23H,7-8,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBBKLEDLQXROBJ-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