General Information of the Compound
| Compound ID |
CP0495870
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[chroman-2,4'-piperidin]-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N3O4
|
||||||||||||||||||
| Molecular Weight |
391.427
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N3O4/c1-28-17-6-3-7-18-19(17)16(26)12-22(29-18)8-10-25(11-9-22)21(27)15-5-2-4-14-13-23-24-20(14)15/h2-7,13H,8-12H2,1H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CISXUVKUAIERRI-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