
 CHEMBL70889

 66 71  0  0  0  0  0  0  0  0999 V2000
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    3.3841    2.4370   -3.3549 H   0  0  0  0  0
    3.2766    1.6264   -1.8046 H   0  0  0  0  0
    2.9649    3.8199   -0.6527 H   0  0  0  0  0
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    5.2373    3.8371   -2.6833 H   0  0  0  0  0
    5.3015    3.0552   -1.0987 H   0  0  0  0  0
    4.9099    5.2436    0.0126 H   0  0  0  0  0
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    8.5463    5.4300   -2.0556 H   0  0  0  0  0
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  1 13  1  0  0  0
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 31 32  1  0  0  0
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 34 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL70889

>  <PubChem CID>
10939416

>  <Formula>
C28H32N4O2

>  <Molecular Weight>
456.590000

>  <IUPAC Name>
2-[2-[4-(2-oxo-1,3,4,5-tetrahydrobenzo[cd]indol-2a-yl)butyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetamide

>  <XlogP>
3.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2=C3C(=CC=C2)NC(=O)C3(C1)CCCCN4CCC5=C(C4)N(C6=CC=CC=C56)CC(=O)N

>  <Isomeric SMILES>
C1CC2=C3C(=CC=C2)NC(=O)C3(C1)CCCCN4CCC5=C(C4)N(C6=CC=CC=C56)CC(=O)N

>  <InChI Std. ID>
InChI=1S/C28H32N4O2/c29-25(33)18-32-23-11-2-1-9-20(23)21-12-16-31(17-24(21)32)15-4-3-13-28-14-6-8-19-7-5-10-22(26(19)28)30-27(28)34/h1-2,5,7,9-11H,3-4,6,8,12-18H2,(H2,29,33)(H,30,34)

>  <InChI Key>
AHSIQWQCEDJFRZ-UHFFFAOYSA-N

