
 BDBM50049201

 56 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50049201

>  <PubChem CID>
44372788

>  <Formula>
C27H21N5O3

>  <Molecular Weight>
463.497000

>  <IUPAC Name>
2-cyclopropyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline-4-carboxylic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC1C2=NC3=CC=CC=C3C(=C2OCC4=CC=C(C=C4)C5=CC=CC=C5C6=NNN=N6)C(=O)O

>  <Isomeric SMILES>
C1CC1C2=NC3=CC=CC=C3C(=C2OCC4=CC=C(C=C4)C5=CC=CC=C5C6=NNN=N6)C(=O)O

>  <InChI Std. ID>
InChI=1S/C27H21N5O3/c33-27(34)23-21-7-3-4-8-22(21)28-24(18-13-14-18)25(23)35-15-16-9-11-17(12-10-16)19-5-1-2-6-20(19)26-29-31-32-30-26/h1-12,18H,13-15H2,(H,33,34)(H,29,30,31,32)

>  <InChI Key>
BJJHJPZLLVXSRJ-UHFFFAOYSA-N

