General Information of the Compound
| Compound ID |
CP0467345
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-(4-hydroxy-3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]heptanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H21N3O3S
|
||||||||||||||||||
| Molecular Weight |
335.429
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H21N3O3S/c1-3-4-5-6-7-14(21)17-16-19-18-15(23-16)11-8-9-12(20)13(10-11)22-2/h8-10,20H,3-7H2,1-2H3,(H,17,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IITOGCQJPPIAMI-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