General Information of the Compound
| Compound ID |
CP0373581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazol-6-yl]-(4-hydroxypiperidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25N3O3
|
||||||||||||||||||
| Molecular Weight |
451.526
|
||||||||||||||||||
| Canonical SMILES |
OC1CCN(CC1)C(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25N3O3/c32-22-8-5-18(6-9-22)17-1-3-19(4-2-17)26-25-16-21-15-20(7-10-24(21)27(25)30-29-26)28(34)31-13-11-23(33)12-14-31/h1-10,15,23,32-33H,11-14,16H2,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROMVJPWTULAPJB-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