General Information of the Compound
| Compound ID |
CP0017801
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-methoxyazetidin-1-yl)-[3-[(1-methylindazol-5-yl)methyl]-2H-indazol-5-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N5O2
|
||||||||||||||||||
| Molecular Weight |
375.432
|
||||||||||||||||||
| Canonical SMILES |
COC1CN(C1)C(=O)c1ccc2[nH]nc(Cc3ccc4n(C)ncc4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N5O2/c1-25-20-6-3-13(7-15(20)10-22-25)8-19-17-9-14(4-5-18(17)23-24-19)21(27)26-11-16(12-26)28-2/h3-7,9-10,16H,8,11-12H2,1-2H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWSYRAJTUUAHEC-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