
 CHEMBL165541

 85 88  0  0  0  0  0  0  0  0999 V2000
   -1.0573    7.0143   -3.3406 C   0  0  0  0  0
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   -2.1080    7.0699   -3.6416 H   0  0  0  0  0
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    5.7435    4.5253   -5.2588 H   0  0  0  0  0
    9.4585    4.0453   -1.2208 H   0  0  0  0  0
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   11.3119    3.9359   -2.7620 H   0  0  0  0  0
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   10.6996    6.1537   -1.6443 H   0  0  0  0  0
    9.0177    6.4917   -1.2110 H   0  0  0  0  0
    1.2331    3.9922   -0.5342 H   0  0  0  0  0
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    3.8505    1.6503    0.8755 H   0  0  0  0  0
    3.5066   -0.7544    1.1523 H   0  0  0  0  0
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    2.1674   -4.5120   -3.6421 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL165541

>  <PubChem CID>
44379184

>  <Formula>
C34H42N4O4S

>  <Molecular Weight>
602.794000

>  <IUPAC Name>
6-amino-N-[2-[4-[(2-butyl-4-oxo-6-propan-2-ylquinazolin-3-yl)methyl]phenyl]phenyl]sulfonylhexanamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC1=NC2=C(C=C(C=C2)C(C)C)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)CCCCCN

>  <Isomeric SMILES>
CCCCC1=NC2=C(C=C(C=C2)C(C)C)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)CCCCCN

>  <InChI Std. ID>
InChI=1S/C34H42N4O4S/c1-4-5-13-32-36-30-20-19-27(24(2)3)22-29(30)34(40)38(32)23-25-15-17-26(18-16-25)28-11-8-9-12-31(28)43(41,42)37-33(39)14-7-6-10-21-35/h8-9,11-12,15-20,22,24H,4-7,10,13-14,21,23,35H2,1-3H3,(H,37,39)

>  <InChI Key>
APDGVEGUUYCZSS-UHFFFAOYSA-N

