
 CHEMBL297714

 78 84  0  0  0  0  0  0  0  0999 V2000
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    6.1772    1.0402    4.8263 N   0  0  0  0  0
   -0.0070   -1.0115   -2.5521 H   0  0  0  0  0
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    6.3963    8.9156    1.3594 H   0  0  0  0  0
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    6.4730   12.2054    0.6911 H   0  0  0  0  0
    5.2749   10.9372    0.3893 H   0  0  0  0  0
    6.4962   12.7951   -1.5951 H   0  0  0  0  0
    5.0252   11.8219   -1.7198 H   0  0  0  0  0
    7.8301   11.1443   -2.5585 H   0  0  0  0  0
    6.3240   10.4719   -3.1761 H   0  0  0  0  0
    6.0611    9.0310   -1.2491 H   0  0  0  0  0
    1.7484    2.7554    1.0296 H   0  0  0  0  0
    1.7907    4.4542    1.3991 H   0  0  0  0  0
    3.3065    5.2933    3.3264 H   0  0  0  0  0
    4.1165    4.8059    5.5624 H   0  0  0  0  0
    3.1100    0.6477    5.0277 H   0  0  0  0  0
    2.3685    1.1195    2.7521 H   0  0  0  0  0
    2.9559    3.9089    7.7340 H   0  0  0  0  0
    3.7991    3.6171   10.0200 H   0  0  0  0  0
    5.5590    1.9320   10.4965 H   0  0  0  0  0
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    7.1357   -1.8812    4.8845 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL297714

>  <PubChem CID>
44212049

>  <Formula>
C34H36N6O2

>  <Molecular Weight>
560.702000

>  <IUPAC Name>
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl)-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC1=NC2=C(C=C(C=C2)C3CCC4CCCC4O3)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7

>  <Isomeric SMILES>
CCCCC1=NC2=C(C=C(C=C2)C3CCC4CCCC4O3)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7

>  <InChI Std. ID>
InChI=1S/C34H36N6O2/c1-2-3-11-32-35-29-18-16-25(31-19-17-24-7-6-10-30(24)42-31)20-28(29)34(41)40(32)21-22-12-14-23(15-13-22)26-8-4-5-9-27(26)33-36-38-39-37-33/h4-5,8-9,12-16,18,20,24,30-31H,2-3,6-7,10-11,17,19,21H2,1H3,(H,36,37,38,39)

>  <InChI Key>
FMWJXVVDCILAHE-UHFFFAOYSA-N

