
 CHEMBL3799499

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3799499

>  <PubChem CID>
127047122

>  <Formula>
C29H25Cl2N3O3

>  <Molecular Weight>
534.437000

>  <IUPAC Name>
3-[[1-[3-(3,5-dichlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1C2=CC(=NN2C3CCC4=C3C=CC(=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl

>  <Isomeric SMILES>
CC1=CC=CC=C1C2=CC(=NN2C3CCC4=C3C=CC(=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C29H25Cl2N3O3/c1-17-4-2-3-5-23(17)27-16-25(20-13-21(30)15-22(31)14-20)33-34(27)26-9-7-18-12-19(6-8-24(18)26)29(37)32-11-10-28(35)36/h2-6,8,12-16,26H,7,9-11H2,1H3,(H,32,37)(H,35,36)

>  <InChI Key>
CCCCVLGHFKSGSZ-UHFFFAOYSA-N

