
 CHEMBL109472

 63 67  0  0  0  0  0  0  0  0999 V2000
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    4.6317   -9.1617    0.1245 C   0  0  0  0  0
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    0.9515    6.3664    1.5771 H   0  0  0  0  0
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    6.3041   10.2818    0.0299 H   0  0  0  0  0
    8.7719   10.1862   -0.2193 H   0  0  0  0  0
    9.8975    8.0084   -0.6095 H   0  0  0  0  0
    8.5628    5.9262   -0.7402 H   0  0  0  0  0
    3.0038   -1.1115    0.0402 H   0  0  0  0  0
    5.4486   -2.3637   -1.1105 H   0  0  0  0  0
    4.0360   -3.0605    1.4924 H   0  0  0  0  0
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    5.6849   -7.5334   -0.7963 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL109472

>  <PubChem CID>
44340415

>  <Formula>
C31H28N2O2

>  <Molecular Weight>
460.577000

>  <IUPAC Name>
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methoxy-4-(2-phenylethynyl)naphthalene-2-carboxamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=C(C2=CC=CC=C21)C#CC3=CC=CC=C3)C(=O)NC4CCN(C4)CC5=CC=CC=C5

>  <Isomeric SMILES>
COC1=C(C=C(C2=CC=CC=C21)C#CC3=CC=CC=C3)C(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C31H28N2O2/c1-35-30-28-15-9-8-14-27(28)25(17-16-23-10-4-2-5-11-23)20-29(30)31(34)32-26-18-19-33(22-26)21-24-12-6-3-7-13-24/h2-15,20,26H,18-19,21-22H2,1H3,(H,32,34)/t26-/m1/s1

>  <InChI Key>
DAUORZLLBDGUDH-AREMUKBSSA-N

