
 CHEMBL16965

 57 61  0  0  0  0  0  0  0  0999 V2000
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    2.5058   -7.2044    3.5552 H   0  0  0  0  0
    1.3949   -5.6436    2.0095 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL16965

>  <PubChem CID>
44271529

>  <Formula>
C26H23N5O2S

>  <Molecular Weight>
469.563000

>  <IUPAC Name>
N-[[3-[[(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=CC(=C3)CNC4=NC5=CC=CC=C5C(=N4)N

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

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

>  <InChI Key>
BROYSXPFKABMKX-UHFFFAOYSA-N

