
 CHEMBL558181

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL558181

>  <PubChem CID>
45262968

>  <Formula>
C32H33ClN4O2

>  <Molecular Weight>
541.092000

>  <IUPAC Name>
N-(6-aminohexyl)-2-(2-naphthalen-2-yl-4-oxo-6-phenylquinazolin-3-yl)acetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N(C3=O)CC(=O)NCCCCCCN)C4=CC5=CC=CC=C5C=C4.Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N(C3=O)CC(=O)NCCCCCCN)C4=CC5=CC=CC=C5C=C4.Cl

>  <InChI Std. ID>
InChI=1S/C32H32N4O2.ClH/c33-18-8-1-2-9-19-34-30(37)22-36-31(27-15-14-24-12-6-7-13-25(24)20-27)35-29-17-16-26(21-28(29)32(36)38)23-10-4-3-5-11-23;/h3-7,10-17,20-21H,1-2,8-9,18-19,22,33H2,(H,34,37);1H

>  <InChI Key>
AJDGOUREFHVIBU-UHFFFAOYSA-N

