
 CHEMBL416747

 62 64  0  0  0  0  0  0  0  0999 V2000
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   10.7435    0.0444    1.0386 C   0  0  0  0  0
    4.5872    3.1021   -0.2355 C   0  0  0  0  0
    4.1386    3.8886   -1.4805 C   0  0  0  0  0
    4.1605    5.3793   -1.2715 C   0  0  0  0  0
    4.3548    5.9162    0.0047 C   0  0  0  0  0
    4.4005    7.2965    0.1877 C   0  0  0  0  0
    4.2093    8.1492   -0.8980 C   0  0  0  0  0
    3.9791    7.6253   -2.1707 C   0  0  0  0  0
    3.9516    6.2412   -2.3668 C   0  0  0  0  0
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    2.8444   -0.7150   -1.0631 H   0  0  0  0  0
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    2.4123    1.8035    0.5932 H   0  0  0  0  0
    2.3722    1.7262   -1.1674 H   0  0  0  0  0
    4.6295    1.3616   -2.3859 H   0  0  0  0  0
    4.7940   -0.0909   -1.4250 H   0  0  0  0  0
    6.8745    2.1263   -1.5157 H   0  0  0  0  0
    6.9293    0.5562   -2.2862 H   0  0  0  0  0
    6.7629   -0.5674   -0.0792 H   0  0  0  0  0
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    8.9925    1.5126   -0.2769 H   0  0  0  0  0
    9.0170   -0.0604   -1.0631 H   0  0  0  0  0
    7.8093   -1.5807    1.4274 H   0  0  0  0  0
    9.2542   -1.7072    2.3715 H   0  0  0  0  0
    9.1907   -3.4966    0.6872 H   0  0  0  0  0
    9.0527   -2.3323   -0.6225 H   0  0  0  0  0
   11.4140   -2.7288    1.2733 H   0  0  0  0  0
   11.3904   -3.0256   -0.4631 H   0  0  0  0  0
   12.5250   -0.8621    0.2169 H   0  0  0  0  0
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    5.6734    3.2347   -0.1453 H   0  0  0  0  0
    3.1146    3.6229   -1.7629 H   0  0  0  0  0
    4.7985    3.6364   -2.3190 H   0  0  0  0  0
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    3.2535    5.7866   -5.5452 H   0  0  0  0  0
    4.2858    7.0876   -4.9400 H   0  0  0  0  0
    2.5280    7.0315   -4.5212 H   0  0  0  0  0
    4.3326    3.2815    1.9145 H   0  0  0  0  0
    2.9296    3.8653    1.0115 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  3  1  0  0  0
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  3 32  1  0  0  0
  3 33  1  0  0  0
  4 15  1  0  0  0
  4  5  1  0  0  0
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  5 35  1  0  0  0
  6  7  1  0  0  0
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  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL416747

>  <PubChem CID>
10338595

>  <Formula>
C22H36N2O2

>  <Molecular Weight>
360.542000

>  <IUPAC Name>
5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(CCCCN1CCCCC1)C2CC3=C(C=CC=C3OC)OC2

>  <Isomeric SMILES>
CCCN(CCCCN1CCCCC1)C2CC3=C(C=CC=C3OC)OC2

>  <InChI Std. ID>
InChI=1S/C22H36N2O2/c1-3-12-24(16-8-7-15-23-13-5-4-6-14-23)19-17-20-21(25-2)10-9-11-22(20)26-18-19/h9-11,19H,3-8,12-18H2,1-2H3

>  <InChI Key>
MLJJVRAVVNCLMN-UHFFFAOYSA-N

