
 CHEMBL2431122

 62 66  0  0  0  0  0  0  0  0999 V2000
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    9.9434   -2.5736   -2.3638 C   0  0  0  0  0
    9.4595   -1.6295   -1.2998 C   0  0  0  0  0
   -0.9975   -7.5714   -0.2557 H   0  0  0  0  0
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   -0.4575   -9.4286    5.3621 H   0  0  0  0  0
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    2.2875   -8.6335    0.1382 H   0  0  0  0  0
    3.7201   -9.3624    0.8754 H   0  0  0  0  0
    4.2776   -8.3680   -1.2975 H   0  0  0  0  0
    3.6121   -6.7973   -0.8210 H   0  0  0  0  0
    6.1744   -6.0928    1.7491 H   0  0  0  0  0
    4.6800   -5.4818    0.9911 H   0  0  0  0  0
    4.9729   -7.9681    2.7460 H   0  0  0  0  0
    4.2139   -6.4226    3.2126 H   0  0  0  0  0
    9.2730   -7.1383   -4.1907 H   0  0  0  0  0
    6.4280   -9.4649   -0.9113 H   0  0  0  0  0
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   10.9666   -2.9281   -2.3097 H   0  0  0  0  0
   10.1609   -1.3397   -0.5254 H   0  0  0  0  0
    8.7708   -0.8451   -1.5901 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
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  7  8  2  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
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 32 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2431122

>  <PubChem CID>
56593284

>  <Formula>
C25H30N4O3

>  <Molecular Weight>
434.540000

>  <IUPAC Name>
2-(cyclopropylmethyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)CC5CC5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)CC5CC5

>  <InChI Std. ID>
InChI=1S/C25H30N4O3/c1-30-21-7-5-4-6-20(21)28-10-12-29(13-11-28)25-18-15-22(31-2)23(32-3)16-19(18)26-24(27-25)14-17-8-9-17/h4-7,15-17H,8-14H2,1-3H3

>  <InChI Key>
PHMXYMYAVOVEDU-UHFFFAOYSA-N

