
 CHEMBL74144

 82 86  0  0  0  0  0  0  0  0999 V2000
   -3.2634    1.6021    4.5172 C   0  0  0  0  0
   -2.0600    1.7008    3.5878 C   0  0  0  0  0
   -2.3197    2.5370    2.3367 C   0  0  0  0  0
   -3.4601    3.1395    2.2370 N   0  0  0  0  0
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   -4.4677    5.3149   -1.2258 C   0  0  0  0  0
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   -4.9701    4.5352    1.0223 C   0  0  0  0  0
   -4.8299    5.9591   -2.4289 N   0  0  0  0  0
   -6.1182    6.3220   -2.7977 C   0  0  0  0  0
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    1.6927   -7.8083    2.0026 O   0  0  0  0  0
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   -3.1555   -9.9674   -0.1280 C   0  0  0  0  0
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    2.0588    0.4244    2.4740 F   0  0  0  0  0
   -3.0236    0.9872    5.3900 H   0  0  0  0  0
   -4.1212    1.1496    4.0078 H   0  0  0  0  0
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   -1.7667    0.6912    3.2833 H   0  0  0  0  0
   -1.2300    2.1488    4.1432 H   0  0  0  0  0
   -2.5032    4.7605   -1.9573 H   0  0  0  0  0
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   -8.3783    6.6368   -4.2293 H   0  0  0  0  0
   -8.5811    7.6879   -6.4783 H   0  0  0  0  0
   -6.5246    8.5846   -7.5810 H   0  0  0  0  0
   -4.3370    8.3532   -6.4039 H   0  0  0  0  0
    0.2720    2.1219    2.5955 H   0  0  0  0  0
    0.7297    2.6307    0.9826 H   0  0  0  0  0
    2.3832   -1.9234    1.5444 H   0  0  0  0  0
   -1.1469   -1.7872   -0.9482 H   0  0  0  0  0
   -1.5218    0.5149   -0.2865 H   0  0  0  0  0
    0.4989   -2.8000   -2.3040 H   0  0  0  0  0
    1.0911   -4.8898   -3.4032 H   0  0  0  0  0
    2.0574   -6.7592   -2.0854 H   0  0  0  0  0
    2.3311   -6.5268    0.3237 H   0  0  0  0  0
   -0.3993   -5.6722    3.0775 H   0  0  0  0  0
   -1.3724   -9.6854    2.0588 H   0  0  0  0  0
   -0.0394   -9.1650    1.0122 H   0  0  0  0  0
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   -1.5817   -8.9162   -1.1359 H   0  0  0  0  0
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   -2.4698  -10.7233    0.2669 H   0  0  0  0  0
   -3.6263  -10.3896   -1.0220 H   0  0  0  0  0
   -4.2071   -7.4345   -0.5694 H   0  0  0  0  0
   -3.7401   -8.1633   -2.1160 H   0  0  0  0  0
   -2.8273   -6.7902   -1.4743 H   0  0  0  0  0
  1  2  1  0  0  0
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  3 22  1  0  0  0
  3  4  2  0  0  0
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 47 82  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL74144

>  <PubChem CID>
44315059

>  <Formula>
C35H34FN5O6S

>  <Molecular Weight>
671.744000

>  <IUPAC Name>
3-methylbutyl N-[2-[4-[[2-ethyl-4-oxo-6-(pyridine-2-carbonylamino)quinazolin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)C(=O)N1CC4=C(C=C(C=C4)C5=CC=CC=C5S(=O)(=O)NC(=O)OCCC(C)C)F

>  <Isomeric SMILES>
CCC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)C(=O)N1CC4=C(C=C(C=C4)C5=CC=CC=C5S(=O)(=O)NC(=O)OCCC(C)C)F

>  <InChI Std. ID>
InChI=1S/C35H34FN5O6S/c1-4-32-39-29-15-14-25(38-33(42)30-10-7-8-17-37-30)20-27(29)34(43)41(32)21-24-13-12-23(19-28(24)36)26-9-5-6-11-31(26)48(45,46)40-35(44)47-18-16-22(2)3/h5-15,17,19-20,22H,4,16,18,21H2,1-3H3,(H,38,42)(H,40,44)

>  <InChI Key>
ARHOSTGQGGKVFS-UHFFFAOYSA-N

