
 CHEMBL24619

 74 78  0  0  0  0  0  0  0  0999 V2000
   -0.7167    5.0843   -6.9058 C   0  0  0  0  0
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    0.3560    4.7527   -4.7836 C   0  0  0  0  0
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    2.1567    5.2258   -2.6602 C   0  0  0  0  0
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    0.2387    4.0664   -3.5669 C   0  0  0  0  0
    3.1361    5.4520   -1.5275 C   0  0  0  0  0
    2.7678    6.5487   -0.4909 C   0  0  0  0  0
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    4.9352    1.3445    3.7699 O   0  0  0  0  0
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    5.4120   10.4180   -2.0982 O   0  0  0  0  0
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    1.5159    6.3498   -6.1367 O   0  0  0  0  0
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    0.1442    4.8971   -7.5545 H   0  0  0  0  0
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    0.9960    3.7599   -1.5787 H   0  0  0  0  0
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    4.1192    5.6756   -1.9646 H   0  0  0  0  0
    3.2783    4.4918   -1.0147 H   0  0  0  0  0
    3.5631    6.5587    0.2698 H   0  0  0  0  0
    4.9871    7.9912   -1.0749 H   0  0  0  0  0
    0.8799   10.4400   -2.3604 H   0  0  0  0  0
   -0.4313    8.7977   -1.0865 H   0  0  0  0  0
    0.0684    7.3423   -1.9614 H   0  0  0  0  0
    0.6278    8.0299    0.9809 H   0  0  0  0  0
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    4.3030    2.7704    1.8418 H   0  0  0  0  0
    1.5287    3.7396    5.7991 H   0  0  0  0  0
   -0.4015    6.4219    4.2464 H   0  0  0  0  0
    0.7236    5.9889    5.4078 H   0  0  0  0  0
    2.4201    0.7089    7.6479 H   0  0  0  0  0
    1.3259    1.1832    6.3404 H   0  0  0  0  0
    1.9055    2.3952    7.5474 H   0  0  0  0  0
    6.5393    0.4521    4.6551 H   0  0  0  0  0
    5.0088    0.1556    5.4733 H   0  0  0  0  0
    5.8426    1.7599    5.6114 H   0  0  0  0  0
    4.3700   11.2595   -4.3808 H   0  0  0  0  0
    4.8457   12.5209   -3.1710 H   0  0  0  0  0
    3.6648   12.8766   -4.4267 H   0  0  0  0  0
    6.8371    9.2726   -1.1045 H   0  0  0  0  0
    5.8577   10.3574   -0.0482 H   0  0  0  0  0
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    1.6324    8.2481   -5.2533 H   0  0  0  0  0
    1.7781    8.1743   -7.0136 H   0  0  0  0  0
    3.1440    7.6360   -6.0290 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL24619

>  <PubChem CID>
19063108

>  <Formula>
C30H34N4O6

>  <Molecular Weight>
546.624000

>  <IUPAC Name>
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-6,7-dimethoxyquinazolin-4-amine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC)OC)OC)OC

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C30H34N4O6/c1-35-23-8-7-17(12-24(23)36-2)11-22-19-14-26(38-4)25(37-3)13-18(19)9-10-34(22)30-32-21-16-28(40-6)27(39-5)15-20(21)29(31)33-30/h7-8,12-16,22H,9-11H2,1-6H3,(H2,31,32,33)

>  <InChI Key>
DNJKQYXTRBILHI-UHFFFAOYSA-N

