
 CHEMBL491508

 69 72  0  0  0  0  0  0  0  0999 V2000
    3.5953    0.5110   -0.5829 C   0  0  0  0  0
    3.7539    0.5539   -2.0581 N   0  0  0  0  0
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    4.5787    2.7762  -10.5744 C   0  0  0  0  0
    5.6564    2.4810  -10.2727 N   0  0  0  0  0
    2.5768    1.1856    5.7601 Cl  0  0  0  0  0
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    4.5147    0.8503   -0.0596 H   0  0  0  0  0
    3.3343   -0.5154   -0.2405 H   0  0  0  0  0
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    6.1814   -0.2406   -0.8884 H   0  0  0  0  0
    6.5316    0.8552   -2.2648 H   0  0  0  0  0
    7.0702   -2.2131   -2.2395 H   0  0  0  0  0
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   10.6483   -0.6368    0.9140 H   0  0  0  0  0
   12.2252    0.3162   -0.7575 H   0  0  0  0  0
   11.5782    0.4109   -3.1647 H   0  0  0  0  0
   10.6782   -0.2193   -5.4414 H   0  0  0  0  0
    9.3666   -0.9034   -7.4454 H   0  0  0  0  0
    7.0107   -1.6547   -7.1957 H   0  0  0  0  0
    5.9616   -1.7622   -4.9467 H   0  0  0  0  0
    3.1454    2.6013   -2.1862 H   0  0  0  0  0
    4.9025    2.3422   -2.0659 H   0  0  0  0  0
    4.3595    3.1579   -4.2956 H   0  0  0  0  0
    4.9928    1.5183   -4.4213 H   0  0  0  0  0
    0.8039    1.0167   -6.4276 H   0  0  0  0  0
    1.8943    0.5956   -7.7865 H   0  0  0  0  0
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    4.8379    2.5758   -6.5328 H   0  0  0  0  0
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    1.7019    3.7628  -13.9688 H   0  0  0  0  0
    3.9257    3.2780  -13.0451 H   0  0  0  0  0
    3.1688    0.4073    6.7277 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL491508

>  <PubChem CID>
44565011

>  <Formula>
C30H33ClN4O

>  <Molecular Weight>
501.071000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CCC1C2=CC=CC=C2C3=CC=CC=C13)CCC(=O)N4CCN(CC4)C5=CC=CC=C5C#N.Cl

>  <Isomeric SMILES>
CN(CCC1C2=CC=CC=C2C3=CC=CC=C13)CCC(=O)N4CCN(CC4)C5=CC=CC=C5C#N.Cl

>  <InChI Std. ID>
InChI=1S/C30H32N4O.ClH/c1-32(16-14-28-26-11-5-3-9-24(26)25-10-4-6-12-27(25)28)17-15-30(35)34-20-18-33(19-21-34)29-13-7-2-8-23(29)22-31;/h2-13,28H,14-21H2,1H3;1H

>  <InChI Key>
LGFUASMNACVYKA-UHFFFAOYSA-N

