
 CHEMBL3421894

 58 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3421894

>  <PubChem CID>
71626832

>  <Formula>
C26H23Cl2N3O4

>  <Molecular Weight>
512.387000

>  <IUPAC Name>
3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1N2CCN(C3=CC=CC=C32)C(=O)C4=C(C=CN=C4)OC5=C(C=C(C(=C5)Cl)CCC(=O)O)Cl

>  <Isomeric SMILES>
C1CC1N2CCN(C3=CC=CC=C32)C(=O)C4=C(C=CN=C4)OC5=C(C=C(C(=C5)Cl)CCC(=O)O)Cl

>  <InChI Std. ID>
InChI=1S/C26H23Cl2N3O4/c27-19-14-24(20(28)13-16(19)5-8-25(32)33)35-23-9-10-29-15-18(23)26(34)31-12-11-30(17-6-7-17)21-3-1-2-4-22(21)31/h1-4,9-10,13-15,17H,5-8,11-12H2,(H,32,33)

>  <InChI Key>
DNPASMRSCZTSNY-UHFFFAOYSA-N

