
 CHEMBL53195

 74 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL53195

>  <PubChem CID>
10553922

>  <Formula>
C32H35N7

>  <Molecular Weight>
517.681000

>  <IUPAC Name>


>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(C=C3)N=C(C5=CC=CN54)N6CCN(CC6)CC7=CC=CC=C7

>  <Isomeric SMILES>
C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(C=C3)N=C(C5=CC=CN54)N6CCN(CC6)CC7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C32H35N7/c1-3-8-26(9-4-1)24-35-16-20-37(21-17-35)30-14-13-28-31(34-30)39-15-7-12-29(39)32(33-28)38-22-18-36(19-23-38)25-27-10-5-2-6-11-27/h1-15H,16-25H2

>  <InChI Key>
DEMZYMHKNNMIGU-UHFFFAOYSA-N

