General Information of the Compound
| Compound ID |
CP0476412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O3S
|
||||||||||||||||||
| Molecular Weight |
382.445
|
||||||||||||||||||
| Canonical SMILES |
CC(Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O3S/c1-12(18(25)26)27-19-22-21-16(23(19)2)13-8-10-15(11-9-13)20-17(24)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,24)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRGWCHJVKVUYFJ-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
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1
Protein ID: PT02560, Diacylglycerol O-acyltransferase 1
Protein ID: PT01749, Diacylglycerol O-acyltransferase 2