
 CHEMBL2431234

 58 62  0  0  0  0  0  0  0  0999 V2000
    6.5211   -0.5914    0.4420 C   0  0  0  0  0
    6.2892    0.4273    1.4077 O   0  0  0  0  0
    5.7482    1.5917    0.9260 C   0  0  0  0  0
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    3.3721    3.0221   -1.6240 C   0  0  0  0  0
    2.9534    4.2362   -2.0182 N   0  0  0  0  0
    3.3902    5.3056   -1.3373 C   0  0  0  0  0
    4.2307    5.2541   -0.2966 N   0  0  0  0  0
    2.8395    6.7020   -1.7336 C   0  0  0  0  0
    2.6251    7.0455   -3.2353 C   0  0  0  0  0
    1.4018    7.8774   -2.8014 C   0  0  0  0  0
    1.3174    6.9723   -1.5569 C   0  0  0  0  0
    2.8200    1.8777   -2.2492 N   0  0  0  0  0
    1.6976    1.3207   -1.4465 C   0  0  0  0  0
    0.4058    2.1649   -1.5612 C   0  0  0  0  0
   -0.0108    2.3102   -2.9820 N   0  0  0  0  0
    1.0751    2.8423   -3.8447 C   0  0  0  0  0
    2.4072    2.0732   -3.6636 C   0  0  0  0  0
   -1.2697    2.9582   -3.0770 C   0  0  0  0  0
   -1.3835    4.3284   -3.3822 C   0  0  0  0  0
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    6.9648    2.6555    2.6422 O   0  0  0  0  0
    7.2959    3.8364    3.3608 C   0  0  0  0  0
    7.0398   -0.1996   -0.4398 H   0  0  0  0  0
    5.5857   -1.0848    0.1614 H   0  0  0  0  0
    7.1672   -1.3451    0.9025 H   0  0  0  0  0
    5.8216    4.9291    1.6159 H   0  0  0  0  0
    4.5427    0.7304   -0.6487 H   0  0  0  0  0
    3.4243    7.4998   -1.2466 H   0  0  0  0  0
    2.3681    6.1937   -3.8750 H   0  0  0  0  0
    3.4323    7.6107   -3.7091 H   0  0  0  0  0
    1.6381    8.9226   -2.5707 H   0  0  0  0  0
    0.5410    7.8455   -3.4736 H   0  0  0  0  0
    1.0288    7.4750   -0.6298 H   0  0  0  0  0
    0.6787    6.0925   -1.6935 H   0  0  0  0  0
    1.9748    1.2078   -0.3917 H   0  0  0  0  0
    1.4949    0.3077   -1.8185 H   0  0  0  0  0
   -0.3686    1.6612   -0.9719 H   0  0  0  0  0
    0.5589    3.1544   -1.1125 H   0  0  0  0  0
    0.7715    2.7576   -4.8957 H   0  0  0  0  0
    1.2540    3.9008   -3.6482 H   0  0  0  0  0
    2.2898    1.0752   -4.1058 H   0  0  0  0  0
    3.2071    2.5633   -4.2330 H   0  0  0  0  0
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    7.9684    3.5550    4.1766 H   0  0  0  0  0
    6.4053    4.2921    3.8064 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  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 30  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
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  9 10  2  0  0  0
  9 17  1  0  0  0
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 31 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2431234

>  <PubChem CID>
52914819

>  <Formula>
C24H27ClN4O2

>  <Molecular Weight>
438.956000

>  <IUPAC Name>
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclobutyl-6,7-dimethoxyquinazoline

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3CCC3)N4CCN(CC4)C5=CC=CC=C5Cl)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3CCC3)N4CCN(CC4)C5=CC=CC=C5Cl)OC

>  <InChI Std. ID>
InChI=1S/C24H27ClN4O2/c1-30-21-14-17-19(15-22(21)31-2)26-23(16-6-5-7-16)27-24(17)29-12-10-28(11-13-29)20-9-4-3-8-18(20)25/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3

>  <InChI Key>
GCVVIGBCICNSIY-UHFFFAOYSA-N

