
 CHEMBL278677

 57 61  0  0  0  0  0  0  0  0999 V2000
    2.7739   -0.2597    1.0910 C   0  0  0  0  0
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  -11.1506   -7.2050    2.5159 N   0  0  0  0  0
  -13.2025   -7.1135    3.5789 N   0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  3 37  1  0  0  0
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  5  6  2  0  0  0
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  6 38  1  0  0  0
  7  8  2  0  0  0
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 34 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL278677

>  <PubChem CID>
44271484

>  <Formula>
C26H23N5O2S

>  <Molecular Weight>
469.563000

>  <IUPAC Name>
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]phenyl]methyl]naphthalene-1-sulfonamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=CC=C(C=C3)CNC4=NC5=CC=CC=C5C(=N4)N

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=CC=C(C=C3)CNC4=NC5=CC=CC=C5C(=N4)N

>  <InChI Std. ID>
InChI=1S/C26H23N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-15,29H,16-17H2,(H3,27,28,30,31)

>  <InChI Key>
BQPOIGDBRGRIAO-UHFFFAOYSA-N

