
 CHEMBL1684574

 68 71  0  0  0  0  0  0  0  0999 V2000
    5.9935   -1.4920    0.4039 C   0  0  0  0  0
    6.1356   -0.3936    1.4525 C   0  0  0  0  0
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    3.7642    1.1126    1.1308 O   0  0  0  0  0
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    6.5166    4.2955    1.6077 O   0  0  0  0  0
    9.2615    3.7454    1.5232 C   0  0  0  0  0
   10.6041    3.4020    1.4019 C   0  0  0  0  0
   11.0898    2.9372    0.1789 C   0  0  0  0  0
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   11.3216    3.5095    2.5557 O   0  0  0  0  0
   12.7326    3.6543    2.4150 C   0  0  0  0  0
   13.2550    4.2430    3.7211 C   0  0  0  0  0
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   15.3279    5.1541    4.8158 N   0  0  0  0  0
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    6.2716    1.8915   -3.8710 C   0  0  0  0  0
    2.3916    4.1083   -4.4084 Cl  0  0  0  0  0
    5.0276   -1.4199   -0.1080 H   0  0  0  0  0
    6.0628   -2.4833    0.8624 H   0  0  0  0  0
    6.7757   -1.4113   -0.3597 H   0  0  0  0  0
    5.3276   -0.5001    2.1858 H   0  0  0  0  0
    8.3138   -0.4001    1.4874 H   0  0  0  0  0
    7.5614   -1.4629    2.6938 H   0  0  0  0  0
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    6.8123    1.2371    0.2799 H   0  0  0  0  0
    4.4114    3.6785    0.6086 H   0  0  0  0  0
    4.1641    2.7757   -0.8972 H   0  0  0  0  0
    8.8719    4.0712    2.4871 H   0  0  0  0  0
   12.1225    2.6233    0.0608 H   0  0  0  0  0
   10.6083    2.4615   -1.8713 H   0  0  0  0  0
   12.9780    4.3302    1.5868 H   0  0  0  0  0
   13.1828    2.6703    2.2370 H   0  0  0  0  0
   12.9828    3.5646    4.5382 H   0  0  0  0  0
   12.7412    5.1910    3.9245 H   0  0  0  0  0
   14.9738    5.0588    2.7593 H   0  0  0  0  0
   15.2492    3.4827    3.4875 H   0  0  0  0  0
   14.0353    4.3083    6.2803 H   0  0  0  0  0
   15.4053    5.1669    6.9067 H   0  0  0  0  0
   15.7156    2.7610    7.2543 H   0  0  0  0  0
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   17.7790    3.9663    6.8775 H   0  0  0  0  0
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   16.9426    5.9132    3.6717 H   0  0  0  0  0
    4.4069    4.3592   -2.4357 H   0  0  0  0  0
    3.6316    2.0947   -6.0039 H   0  0  0  0  0
    5.7933    0.9103   -5.7320 H   0  0  0  0  0
    7.2134    1.3573   -3.7573 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
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  2  4  1  0  0  0
  2  3  1  0  0  0
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  3 40  1  0  0  0
  3 41  1  0  0  0
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  4  5  1  0  0  0
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  7  8  1  0  0  0
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 34 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1684574

>  <PubChem CID>
11854507

>  <Formula>
C27H33ClN4O3

>  <Molecular Weight>
497.036000

>  <IUPAC Name>
2-[2-(3-chlorophenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide

>  <XlogP>
4.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)OCCCN3CCCCC3)C4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
CC(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)OCCCN3CCCCC3)C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33)

>  <InChI Key>
MOMPUOVKLQCIDO-UHFFFAOYSA-N

