General Information of the Compound
| Compound ID |
CP0497066
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclopentyl]methanol
Show/Hide
|
||||||||||||||||||
| Formula |
C15H18ClN3OS
|
||||||||||||||||||
| Molecular Weight |
323.849
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(s\c1=N/C1(CO)CCCC1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18ClN3OS/c1-19-14(17-15(10-20)8-2-3-9-15)21-13(18-19)11-4-6-12(16)7-5-11/h4-7,20H,2-3,8-10H2,1H3/b17-14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNYKECKPTRQRDR-VKAVYKQESA-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 | |||||||||||||||||||
| 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