
 CHEMBL194844

 58 62  0  0  0  0  0  0  0  0999 V2000
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    2.0455   -1.9641    2.0158 H   0  0  0  0  0
    1.7704   -0.7907    4.2266 H   0  0  0  0  0
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    4.5557   -1.9735    3.7059 H   0  0  0  0  0
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  1  6  1  0  0  0
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  1 30  1  0  0  0
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  2 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL194844

>  <PubChem CID>
11613115

>  <Formula>
C24H29N3O2

>  <Molecular Weight>
391.515000

>  <IUPAC Name>
3-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1H-indole

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCCCC2=CNC3=CC=CC=C32)C4=C5C(=CC=C4)OCCO5

>  <Isomeric SMILES>
C1CN(CCN1CCCCC2=CNC3=CC=CC=C32)C4=C5C(=CC=C4)OCCO5

>  <InChI Std. ID>
InChI=1S/C24H29N3O2/c1-2-8-21-20(7-1)19(18-25-21)6-3-4-11-26-12-14-27(15-13-26)22-9-5-10-23-24(22)29-17-16-28-23/h1-2,5,7-10,18,25H,3-4,6,11-17H2

>  <InChI Key>
DDLKKLRIFBJGAF-UHFFFAOYSA-N

