General Information of the Compound
| Compound ID |
CP0916835
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19N3O2S
|
||||||||||||||||||
| Molecular Weight |
389.48
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cc2c(s1)CCC2)N1N=C(c2cccnc2)CC1c1ccccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N3O2S/c26-19-8-2-1-7-16(19)18-12-17(15-6-4-10-23-13-15)24-25(18)22(27)21-11-14-5-3-9-20(14)28-21/h1-2,4,6-8,10-11,13,18,26H,3,5,9,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGXGKKFHLCFONP-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