
 CEP-11981

 63 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CEP-11981

>  <PubChem CID>
11751922

>  <Formula>
C28H27N7O

>  <Molecular Weight>
477.572000

>  <IUPAC Name>


>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)CN1C2=C(C=C(C=C2)NC3=NC=CC=N3)C4=C5CNC(=O)C5=C6C(=C41)CCC7=NN(C=C76)C

>  <Isomeric SMILES>
CC(C)CN1C2=C(C=C(C=C2)NC3=NC=CC=N3)C4=C5CNC(=O)C5=C6C(=C41)CCC7=NN(C=C76)C

>  <InChI Std. ID>
InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)

>  <InChI Key>
AEULIVPVIDOLIN-UHFFFAOYSA-N

