General Information of the Compound
| Compound ID |
CP0415824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[(5-benzyl-1,3,4-thiadiazole-2-carbonyl)amino]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N3O3S
|
||||||||||||||||||
| Molecular Weight |
367.43
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1ccc(NC(=O)c2nnc(Cc3ccccc3)s2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N3O3S/c23-17(24)11-8-13-6-9-15(10-7-13)20-18(25)19-22-21-16(26-19)12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,20,25)(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTFXTDMDBGXZNW-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