
 CHEMBL64567

 53 58  0  0  0  0  0  0  0  0999 V2000
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    4.0774   -1.1530    2.3973 C   0  0  0  0  0
    3.1559   -1.9189    2.9954 N   0  0  0  0  0
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    2.2920   -7.2784   -5.0396 N   0  0  0  0  0
    1.3749   -7.2395   -4.0694 N   0  0  0  0  0
    0.7378   -6.0923   -4.2591 N   0  0  0  0  0
    1.1930   -4.7859    4.5860 H   0  0  0  0  0
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  4  5  2  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  2  0  0  0
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  7 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL64567

>  <PubChem CID>
9914750

>  <Formula>
C26H18ClN5O3

>  <Molecular Weight>
483.912000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC1C2=C(C(=C3C=CC(=CC3=N2)Cl)C(=O)O)OC4=CC=C(C=C4)C5=CC=CC=C5C6=NNN=N6

>  <Isomeric SMILES>
C1CC1C2=C(C(=C3C=CC(=CC3=N2)Cl)C(=O)O)OC4=CC=C(C=C4)C5=CC=CC=C5C6=NNN=N6

>  <InChI Std. ID>
InChI=1S/C26H18ClN5O3/c27-16-9-12-20-21(13-16)28-23(15-5-6-15)24(22(20)26(33)34)35-17-10-7-14(8-11-17)18-3-1-2-4-19(18)25-29-31-32-30-25/h1-4,7-13,15H,5-6H2,(H,33,34)(H,29,30,31,32)

>  <InChI Key>
BPQVUAYRJOBEFG-UHFFFAOYSA-N

