
 CHEMBL214535

 71 75  0  0  0  0  0  0  0  0999 V2000
    7.1444   -7.9959   -1.6018 C   0  0  0  0  0
    8.2935   -7.4307   -0.7764 C   0  0  0  0  0
    7.6775   -6.2940    0.0229 C   0  0  0  0  0
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    2.5546    5.0939   -7.2425 C   0  0  0  0  0
    2.2271    6.1471   -8.0978 C   0  0  0  0  0
    3.1148    6.5349   -9.0994 C   0  0  0  0  0
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    8.4211   -5.5226    0.2445 H   0  0  0  0  0
    5.2924   -7.4679   -0.6431 H   0  0  0  0  0
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    4.8321   -4.7246   -0.9245 H   0  0  0  0  0
    7.0031   -3.7513    1.0167 H   0  0  0  0  0
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    5.2797    0.3190   -2.6587 H   0  0  0  0  0
    9.3143   -1.5255   -4.8970 H   0  0  0  0  0
    8.2373   -2.7831   -3.0771 H   0  0  0  0  0
    9.8612    1.5049   -3.5875 H   0  0  0  0  0
   11.2022    3.0663   -2.2178 H   0  0  0  0  0
   12.3922    5.2101   -1.9839 H   0  0  0  0  0
   12.4665    6.8119   -3.8753 H   0  0  0  0  0
   11.3602    6.2662   -6.0072 H   0  0  0  0  0
   10.0431    4.6842   -7.4012 H   0  0  0  0  0
    8.8582    2.5403   -7.6434 H   0  0  0  0  0
    6.7483    2.2322   -5.5226 H   0  0  0  0  0
    5.7623    4.2801   -5.4438 H   0  0  0  0  0
    4.2083    4.4610   -4.6408 H   0  0  0  0  0
    3.2064    2.7273   -6.1975 H   0  0  0  0  0
    4.7419    2.5497   -7.0053 H   0  0  0  0  0
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    2.8566    7.3524   -9.7673 H   0  0  0  0  0
    5.0246    6.1764  -10.0251 H   0  0  0  0  0
    5.6151    4.3118   -8.5184 H   0  0  0  0  0
  1  5  1  0  0  0
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  1 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL214535

>  <PubChem CID>
11591542

>  <Formula>
C32H33N3O3

>  <Molecular Weight>
507.634000

>  <IUPAC Name>
4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCNC(=O)C2=CC(=C(C=C2)OC3=CC4=CC=CC=C4C=C3)NC(=O)CCC5=CC=CC=C5

>  <Isomeric SMILES>
C1CCN(C1)CCNC(=O)C2=CC(=C(C=C2)OC3=CC4=CC=CC=C4C=C3)NC(=O)CCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H33N3O3/c36-31(17-12-24-8-2-1-3-9-24)34-29-23-27(32(37)33-18-21-35-19-6-7-20-35)14-16-30(29)38-28-15-13-25-10-4-5-11-26(25)22-28/h1-5,8-11,13-16,22-23H,6-7,12,17-21H2,(H,33,37)(H,34,36)

>  <InChI Key>
JLXHGFWAMLYKBM-UHFFFAOYSA-N

