General Information of the Compound
| Compound ID |
CP0255051
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| Compound Name |
3-[5-chloro-6-[(1R)-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
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| Synonyms |
(R)-3-(5-Chloro-6-(1-(pyridin-2-yl)ethoxy)benzo[d]isoxazol-3-yl)propanoic acid
1953156-61-0
3-[5-Chloranyl-6-[(1~{r})-1-Pyridin-2-Ylethoxy]-1,2-Benzoxazol-3-Yl]propanoic Acid
8R5
BDBM50266003
CHEMBL4091152
ClC=1C(=CC2=C(C(=NO2)CCC(=O)O)C=1)O[C@H](C)C1=NC=CC=C1
GSK065
GSK3335065
GTPL10358
SCHEMBL17844622
inhibitor C1 [PMID: 28604669]
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| Structure |
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| Formula |
C17H15ClN2O4
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| Molecular Weight |
346.77
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| Canonical SMILES |
C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccccn1
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| InChI |
InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1
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| InChIKey |
WPAHVUADNLXSOM-SNVBAGLBSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound