General Information of the Compound
| Compound ID |
CP0400134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]phenyl]cyclohexyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O2S
|
||||||||||||||||||
| Molecular Weight |
407.539
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC1CCC(CC1)c1ccc(Nc2nnc(Cc3ccccc3)s2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O2S/c27-22(28)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24-23-26-25-21(29-23)14-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H,24,26)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORHJJMMGHHLZEJ-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