
 CHEMBL3924062

 56 59  0  0  0  0  0  0  0  0999 V2000
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    8.8831    2.6468   -1.3994 H   0  0  0  0  0
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    7.2664    3.3031   -1.1115 H   0  0  0  0  0
    5.8295    0.0379    0.2487 H   0  0  0  0  0
    5.4655    1.7544    0.0213 H   0  0  0  0  0
    6.5994    1.2497    1.2761 H   0  0  0  0  0
    8.6118   -0.6007   -1.0825 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3924062

>  <PubChem CID>
71093575

>  <Formula>
C21H28N4O3

>  <Molecular Weight>
384.480000

>  <IUPAC Name>
5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC(=NO1)C(C)(C)NC(=O)C2=NC(=C(C=C2)C3CCCC3)OCC4CC4

>  <Isomeric SMILES>
CC1=NC(=NO1)C(C)(C)NC(=O)C2=NC(=C(C=C2)C3CCCC3)OCC4CC4

>  <InChI Std. ID>
InChI=1S/C21H28N4O3/c1-13-22-20(25-28-13)21(2,3)24-18(26)17-11-10-16(15-6-4-5-7-15)19(23-17)27-12-14-8-9-14/h10-11,14-15H,4-9,12H2,1-3H3,(H,24,26)

>  <InChI Key>
AAYUCLWERQEEON-UHFFFAOYSA-N

