
 CHEMBL2059410

 63 67  0  0  0  0  0  0  0  0999 V2000
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    4.4643   -8.0037   -1.0554 H   0  0  0  0  0
    6.1314   -7.3848   -1.1307 H   0  0  0  0  0
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  2 11  1  0  0  0
  3  4  1  0  0  0
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  4  5  2  0  0  0
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  5 37  1  0  0  0
  6  7  2  0  0  0
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  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
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 32 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2059410

>  <PubChem CID>
57522703

>  <Formula>
C27H31N3O2

>  <Molecular Weight>
429.564000

>  <IUPAC Name>
4-(2-cyclopropylethoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC2=CC(=CN=C12)CN3CCCC3)NC(=O)C4=CC=C(C=C4)OCCC5CC5

>  <Isomeric SMILES>
CC1=C(C=CC2=CC(=CN=C12)CN3CCCC3)NC(=O)C4=CC=C(C=C4)OCCC5CC5

>  <InChI Std. ID>
InChI=1S/C27H31N3O2/c1-19-25(11-8-23-16-21(17-28-26(19)23)18-30-13-2-3-14-30)29-27(31)22-6-9-24(10-7-22)32-15-12-20-4-5-20/h6-11,16-17,20H,2-5,12-15,18H2,1H3,(H,29,31)

>  <InChI Key>
GNOUTRNRKMHDGH-UHFFFAOYSA-N

