
 CHEMBL128185

 52 55  0  0  0  0  0  0  0  0999 V2000
    0.9264   -0.1194   -0.0107 C   0  0  0  0  0
    2.3712   -0.1447    0.0246 N   0  0  0  0  0
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    4.4834    0.5877    0.0609 C   0  0  0  0  0
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    3.9109    3.2512    0.6534 C   0  0  0  0  0
    2.7159    2.3832    0.1879 C   0  0  0  0  0
    6.2438    3.8878    0.2448 C   0  0  0  0  0
    5.9753    5.3487   -0.1525 C   0  0  0  0  0
    7.1863    6.2304    0.1505 C   0  0  0  0  0
    7.4167    6.1954    1.5617 O   0  0  0  0  0
    8.7017    6.4314    1.9587 C   0  0  0  0  0
    9.5914    7.2861    1.3046 C   0  0  0  0  0
   10.8851    7.4531    1.8044 C   0  0  0  0  0
   11.2721    6.7751    2.9556 C   0  0  0  0  0
   10.3870    5.9402    3.6260 C   0  0  0  0  0
    9.0945    5.7759    3.1294 C   0  0  0  0  0
   12.5150    6.9348    3.4282 F   0  0  0  0  0
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    3.1700   -1.2730    0.0178 C   0  0  0  0  0
    2.8447   -2.6388    0.0055 C   0  0  0  0  0
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    6.0575   -5.3085    0.6084 C   0  0  0  0  0
    0.5298   -1.1179   -0.1977 H   0  0  0  0  0
    0.6126    0.5489   -0.8171 H   0  0  0  0  0
    0.5674    0.2486    0.9537 H   0  0  0  0  0
    6.0740    1.4763    1.1382 H   0  0  0  0  0
    6.3773    1.2985   -0.6052 H   0  0  0  0  0
    4.0856    3.0986    1.7275 H   0  0  0  0  0
    3.6023    4.2927    0.5219 H   0  0  0  0  0
    1.8875    2.4953    0.8950 H   0  0  0  0  0
    2.3741    2.7213   -0.7975 H   0  0  0  0  0
    7.1534    3.5692   -0.2818 H   0  0  0  0  0
    6.4594    3.8239    1.3191 H   0  0  0  0  0
    5.1232    5.7430    0.4110 H   0  0  0  0  0
    5.7344    5.4124   -1.2196 H   0  0  0  0  0
    6.9723    7.2628   -0.1490 H   0  0  0  0  0
    8.0515    5.8608   -0.4141 H   0  0  0  0  0
    9.2957    7.8387    0.4184 H   0  0  0  0  0
   11.5916    8.1103    1.3079 H   0  0  0  0  0
   10.7057    5.4254    4.5260 H   0  0  0  0  0
    8.3931    5.1262    3.6470 H   0  0  0  0  0
    1.8144   -2.9780   -0.0123 H   0  0  0  0  0
    3.6192   -4.6256    0.0096 H   0  0  0  0  0
    6.5723   -1.4901    0.0443 H   0  0  0  0  0
    7.0261   -5.7997    0.7426 H   0  0  0  0  0
    5.4741   -5.9127   -0.0934 H   0  0  0  0  0
    5.5695   -5.2608    1.5883 H   0  0  0  0  0
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  7 34  1  0  0  0
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  9 10  1  0  0  0
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  9 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL128185

>  <PubChem CID>
44351184

>  <Formula>
C22H25FN2O2

>  <Molecular Weight>
368.452000

>  <IUPAC Name>
2-[3-(4-fluorophenoxy)propyl]-8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C2=C(CN(CC2)CCCOC3=CC=C(C=C3)F)C4=C1C=CC(=C4)OC

>  <Isomeric SMILES>
CN1C2=C(CN(CC2)CCCOC3=CC=C(C=C3)F)C4=C1C=CC(=C4)OC

>  <InChI Std. ID>
InChI=1S/C22H25FN2O2/c1-24-21-9-8-18(26-2)14-19(21)20-15-25(12-10-22(20)24)11-3-13-27-17-6-4-16(23)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3

>  <InChI Key>
ZIYXMKSJNWAUDA-UHFFFAOYSA-N

