
 CHEMBL491144

 71 74  0  0  0  0  0  0  0  0999 V2000
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    0.3962   -6.8812    1.1934 H   0  0  0  0  0
    2.5138   -8.1392    1.4998 H   0  0  0  0  0
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    3.0923   -6.0707    3.0222 H   0  0  0  0  0
    0.2098    0.3090    6.3150 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
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 34 70  1  0  0  0
 36 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL491144

>  <PubChem CID>
44565063

>  <Formula>
C29H35ClN4O2

>  <Molecular Weight>
507.075000

>  <IUPAC Name>
6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-1-methylpyridin-2-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C(=O)C=CC=C1N2CCN(CC2)C(=O)CCN(C)CCC3C4=CC=CC=C4C5=CC=CC=C35.Cl

>  <Isomeric SMILES>
CN1C(=O)C=CC=C1N2CCN(CC2)C(=O)CCN(C)CCC3C4=CC=CC=C4C5=CC=CC=C35.Cl

>  <InChI Std. ID>
InChI=1S/C29H34N4O2.ClH/c1-30(16-14-26-24-10-5-3-8-22(24)23-9-4-6-11-25(23)26)17-15-29(35)33-20-18-32(19-21-33)27-12-7-13-28(34)31(27)2;/h3-13,26H,14-21H2,1-2H3;1H

>  <InChI Key>
MVOHUCZVXSEBIN-UHFFFAOYSA-N

