General Information of the Compound
| Compound ID |
CP0207218
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5,6-dichloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
1799725-26-0
3-(5,6-Dichloro-2-Oxobenzo[d]oxazol-3(2h)-Yl)propanoic Acid
3-(5,6-dichloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
BCP33987
BDBM50266036
CHEMBL4092205
CS-0043620
ClC=1C(=CC2=C(N(C(O2)=O)CCC(=O)O)C1)Cl
EX-A4035
GSK 180
GSK-180
GSK180
GTPL9007
HY-112179
JHY
Q27077878
SB19707
SCHEMBL16836556
inhibitor A1 [PMID: 28604669]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H7Cl2NO4
|
||||||||||||||||||
| Molecular Weight |
276.075
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCn1c2cc(Cl)c(Cl)cc2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H7Cl2NO4/c11-5-3-7-8(4-6(5)12)17-10(16)13(7)2-1-9(14)15/h3-4H,1-2H2,(H,14,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MIGAKMWKMLYGJX-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
Clinical Information about the Compound