
 SCHEMBL3498604

 65 69  0  0  0  0  0  0  0  0999 V2000
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    4.7915    6.9518   -0.8743 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3498604

>  <PubChem CID>
59335735

>  <Formula>
C31H26ClN3O4

>  <Molecular Weight>
540.016000

>  <IUPAC Name>
2-[[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=CN2C1=NC(=C2)C(=O)NC(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
CC1=CC(=CN2C1=NC(=C2)C(=O)NC(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C31H26ClN3O4/c1-20-15-24(23-9-11-25(32)12-10-23)17-35-18-28(33-29(20)35)30(36)34-27(31(37)38)16-21-7-13-26(14-8-21)39-19-22-5-3-2-4-6-22/h2-15,17-18,27H,16,19H2,1H3,(H,34,36)(H,37,38)

>  <InChI Key>
PTCKWBHTDIXPNJ-UHFFFAOYSA-N

