General Information of the Compound
| Compound ID |
CP0528339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(6-methylpyridazin-3-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24ClN3O2
|
||||||||||||||||||
| Molecular Weight |
373.884
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(nn1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24ClN3O2/c1-14-6-9-18(24-23-14)15-7-8-17(21)16(12-15)19(25)22-13-20(26)10-4-2-3-5-11-20/h6-9,12,26H,2-5,10-11,13H2,1H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVHUTADMAUFBCK-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