
 CHEMBL126188

 54 58  0  0  0  0  0  0  0  0999 V2000
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    7.1741    6.1229    0.5486 C   0  0  0  0  0
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    0.4153    0.0014    0.5046 H   0  0  0  0  0
    5.8575    1.3832    1.2662 H   0  0  0  0  0
    6.3952    1.1847   -0.4167 H   0  0  0  0  0
    3.7967    3.0747    1.5193 H   0  0  0  0  0
    3.5512    4.2473    0.2230 H   0  0  0  0  0
    1.7539    2.5052    0.3298 H   0  0  0  0  0
    2.5407    2.6561   -1.2546 H   0  0  0  0  0
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    8.2337    6.2275    7.9654 H   0  0  0  0  0
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    3.4960   -4.6889   -0.0357 H   0  0  0  0  0
    1.7019   -3.0041   -0.3052 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL126188

>  <PubChem CID>
44350898

>  <Formula>
C25H26N2O

>  <Molecular Weight>
370.496000

>  <IUPAC Name>
5-methyl-2-(3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C2=C(CN(CC2)CCCOC3=CC=CC4=CC=CC=C43)C5=CC=CC=C51

>  <Isomeric SMILES>
CN1C2=C(CN(CC2)CCCOC3=CC=CC4=CC=CC=C43)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C25H26N2O/c1-26-23-12-5-4-11-21(23)22-18-27(16-14-24(22)26)15-7-17-28-25-13-6-9-19-8-2-3-10-20(19)25/h2-6,8-13H,7,14-18H2,1H3

>  <InChI Key>
IJGKULPBSUOGBL-UHFFFAOYSA-N

