General Information of the Compound
| Compound ID |
CP0502310
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-(hydroxymethyl)pyridin-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25ClN2O3
|
||||||||||||||||||
| Molecular Weight |
388.895
|
||||||||||||||||||
| Canonical SMILES |
OCc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25ClN2O3/c22-18-7-6-16(19-8-5-15(13-25)12-23-19)11-17(18)20(26)24-14-21(27)9-3-1-2-4-10-21/h5-8,11-12,25,27H,1-4,9-10,13-14H2,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJHJISOWONYMPK-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