
 CHEMBL55366

 58 62  0  0  0  0  0  0  0  0999 V2000
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    8.4664    1.0253    6.4852 C   0  0  0  0  0
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    4.1248    0.7367   -0.9736 C   0  0  0  0  0
    2.7976    0.7376   -0.8110 C   0  0  0  0  0
    0.3815    0.7635    0.6292 H   0  0  0  0  0
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    5.7820   -3.5649    3.9435 H   0  0  0  0  0
    6.2450   -2.7911    6.2231 H   0  0  0  0  0
   10.0145   -1.1592    4.9066 H   0  0  0  0  0
    9.5333   -1.9008    2.6210 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 36  1  0  0  0
  1 37  1  0  0  0
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  2  3  2  0  0  0
  3  4  1  0  0  0
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  4  5  1  0  0  0
  4  9  1  0  0  0
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  6  7  1  0  0  0
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 34 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL55366

>  <PubChem CID>
44298809

>  <Formula>
C26H24N6O2

>  <Molecular Weight>
452.518000

>  <IUPAC Name>
7-methyl-2-propan-2-yloxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[1,2-a]pyrimidin-4-one

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CN2C(=NC(=C(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)OC(C)C)C=C1

>  <Isomeric SMILES>
CC1=CN2C(=NC(=C(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)OC(C)C)C=C1

>  <InChI Std. ID>
InChI=1S/C26H24N6O2/c1-16(2)34-25-22(26(33)32-15-17(3)8-13-23(32)27-25)14-18-9-11-19(12-10-18)20-6-4-5-7-21(20)24-28-30-31-29-24/h4-13,15-16H,14H2,1-3H3,(H,28,29,30,31)

>  <InChI Key>
BVIWHTOPFDFFHS-UHFFFAOYSA-N

