
 CHEMBL352863

 73 76  0  0  0  0  0  0  0  0999 V2000
    0.1436    2.4774   -2.9194 C   0  0  0  0  0
    1.3552    3.2848   -3.3569 C   0  0  0  0  0
    2.5783    2.3891   -3.5605 C   0  0  0  0  0
    3.7911    3.1900   -3.9927 C   0  0  0  0  0
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    5.7694    4.4856   -3.4465 C   0  0  0  0  0
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    5.1714    4.1388   -5.7716 C   0  0  0  0  0
    4.0435    3.4174   -5.3588 C   0  0  0  0  0
    3.1545    2.8723   -6.2520 O   0  0  0  0  0
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    2.2673    1.2676   -8.2013 O   0  0  0  0  0
    4.3362    3.5103   -1.7233 O   0  0  0  0  0
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    3.2652    7.6481    0.5699 O   0  0  0  0  0
    3.3428    8.1699    1.8404 C   0  0  0  0  0
    2.2077    8.1163    2.6638 C   0  0  0  0  0
    2.3452    8.5240    4.0075 C   0  0  0  0  0
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    4.5373   10.3376    6.5343 C   0  0  0  0  0
    4.4415   10.2572    7.9004 N   0  0  0  0  0
    3.6390    9.2449    8.1273 C   0  0  0  0  0
    3.2117    8.6755    6.9644 N   0  0  0  0  0
    1.2738    8.3505    4.8555 O   0  0  0  0  0
    0.5741    9.5812    5.0633 C   0  0  0  0  0
    0.8873    7.6223    2.1177 C   0  0  0  0  0
    0.7070    6.1119    2.2484 C   0  0  0  0  0
   -0.6338    5.6747    1.6735 C   0  0  0  0  0
   -0.7197    3.1352   -2.7793 H   0  0  0  0  0
    0.3362    1.9634   -1.9723 H   0  0  0  0  0
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    1.5668    4.0503   -2.6006 H   0  0  0  0  0
    1.1162    3.8159   -4.2859 H   0  0  0  0  0
    2.3583    1.6109   -4.3022 H   0  0  0  0  0
    2.8019    1.8371   -2.6389 H   0  0  0  0  0
    6.4806    4.8988   -2.7412 H   0  0  0  0  0
    6.9075    5.2388   -5.1050 H   0  0  0  0  0
    2.7768    4.4065   -7.5581 H   0  0  0  0  0
    4.6932    3.7431   -9.1450 H   0  0  0  0  0
    5.0785    2.4163   -8.0442 H   0  0  0  0  0
    5.2196    5.4061   -7.4734 H   0  0  0  0  0
    6.5308    4.2132   -7.4312 H   0  0  0  0  0
    1.7021    0.8805   -8.8998 H   0  0  0  0  0
    5.7923    4.7422   -0.8290 H   0  0  0  0  0
    4.6783    3.9208    0.2256 H   0  0  0  0  0
    2.7791    5.3149   -0.4751 H   0  0  0  0  0
    3.7420    6.1486   -1.6607 H   0  0  0  0  0
    5.1965    7.1186    0.0388 H   0  0  0  0  0
    4.4637    6.0956    1.3082 H   0  0  0  0  0
    5.6012    9.5518    3.9647 H   0  0  0  0  0
    5.3908    8.8360    1.6378 H   0  0  0  0  0
    5.1507   11.0968    6.0653 H   0  0  0  0  0
    3.3353    8.8817    9.0994 H   0  0  0  0  0
    2.5847    7.8873    6.8735 H   0  0  0  0  0
   -0.3815    9.5376    4.5321 H   0  0  0  0  0
    1.1250   10.4699    4.7384 H   0  0  0  0  0
    0.3630    9.6733    6.1343 H   0  0  0  0  0
    0.7969    7.9206    1.0646 H   0  0  0  0  0
    0.0610    8.1401    2.6194 H   0  0  0  0  0
    0.7631    5.8122    3.3014 H   0  0  0  0  0
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   -0.7483    4.5902    1.7557 H   0  0  0  0  0
   -0.7135    5.9456    0.6146 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL352863

>  <PubChem CID>
10391552

>  <Formula>
C29H36N2O6

>  <Molecular Weight>
508.615000

>  <IUPAC Name>
7-[3-[4-(1H-imidazol-5-yl)-3-methoxy-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=CN=CN4)OC)CCC

>  <Isomeric SMILES>
CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=CN=CN4)OC)CCC

>  <InChI Std. ID>
InChI=1S/C29H36N2O6/c1-4-7-21-24(12-9-19-10-13-26(29(32)33)37-27(19)21)35-15-6-16-36-25-14-11-20(23-17-30-18-31-23)28(34-3)22(25)8-5-2/h9,11-12,14,17-18,26H,4-8,10,13,15-16H2,1-3H3,(H,30,31)(H,32,33)

>  <InChI Key>
CZEHYXIKXRRVEW-UHFFFAOYSA-N

