
 CHEMBL424258

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.2794   -2.0018   -1.0360 C   0  0  0  0  0
   -0.9879   -1.8566   -0.1572 C   0  0  0  0  0
   -1.5961   -0.4960   -0.2097 N   0  0  0  0  0
   -0.6541    0.5521    0.2598 C   0  0  0  0  0
    0.7437    0.2778   -0.1763 C   0  0  0  0  0
    1.2151   -0.8873   -0.7394 C   0  0  0  0  0
    2.6225   -0.7673   -0.8786 C   0  0  0  0  0
    3.6456   -1.6174   -1.3404 C   0  0  0  0  0
    4.9740   -1.1795   -1.2968 C   0  0  0  0  0
    5.2895    0.0873   -0.8099 C   0  0  0  0  0
    4.2910    0.9551   -0.3564 C   0  0  0  0  0
    2.9677    0.5004   -0.4000 C   0  0  0  0  0
    1.8023    1.1257   -0.0080 N   0  0  0  0  0
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   -3.6296    0.8199    0.4868 C   0  0  0  0  0
   -4.9204    0.7629    1.3050 C   0  0  0  0  0
   -4.5801    0.6434    2.6870 O   0  0  0  0  0
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   -7.9232    0.6245    4.3011 C   0  0  0  0  0
   -7.5239    0.4787    5.6287 C   0  0  0  0  0
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   -5.2180    0.4526    4.9182 C   0  0  0  0  0
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    1.7565    2.0545    0.3869 H   0  0  0  0  0
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   -8.2675    0.4327    6.4203 H   0  0  0  0  0
   -5.8508    0.2793    6.9713 H   0  0  0  0  0
   -4.1617    0.3858    5.1647 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL424258

>  <PubChem CID>
10892139

>  <Formula>
C20H22N2O

>  <Molecular Weight>
306.409000

>  <IUPAC Name>
2-(3-phenoxypropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CC2=C1C3=CC=CC=C3N2)CCCOC4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CC2=C1C3=CC=CC=C3N2)CCCOC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H22N2O/c1-2-7-16(8-3-1)23-14-6-12-22-13-11-18-17-9-4-5-10-19(17)21-20(18)15-22/h1-5,7-10,21H,6,11-15H2

>  <InChI Key>
KFEQSXYFANTPFC-UHFFFAOYSA-N

