
 CHEMBL13120

 52 56  0  0  0  0  0  0  0  0999 V2000
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   -9.0935    0.4746   -3.5546 H   0  0  0  0  0
  -11.3763    1.4305   -3.6736 H   0  0  0  0  0
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  1  2  1  0  0  0
  1  6  1  0  0  0
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  3 15  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
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  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
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  7 13  1  0  0  0
  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL13120

>  <PubChem CID>
44268143

>  <Formula>
C24H24FN3

>  <Molecular Weight>
373.475000

>  <IUPAC Name>
6-fluoro-2-(4-quinolin-4-ylbutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CC2=C1C3=C(N2)C=CC(=C3)F)CCCCC4=CC=NC5=CC=CC=C45

>  <Isomeric SMILES>
C1CN(CC2=C1C3=C(N2)C=CC(=C3)F)CCCCC4=CC=NC5=CC=CC=C45

>  <InChI Std. ID>
InChI=1S/C24H24FN3/c25-18-8-9-23-21(15-18)20-11-14-28(16-24(20)27-23)13-4-3-5-17-10-12-26-22-7-2-1-6-19(17)22/h1-2,6-10,12,15,27H,3-5,11,13-14,16H2

>  <InChI Key>
AEBCLIZNJBUUSQ-UHFFFAOYSA-N

