
 CHEMBL2058674

 58 61  0  0  0  0  0  0  0  0999 V2000
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    0.4069   -0.5862    0.3296 H   0  0  0  0  0
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    6.8050    0.6805   -1.3171 H   0  0  0  0  0
    7.0536    1.8156    0.0116 H   0  0  0  0  0
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    9.5060   10.1886    1.8949 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2058674

>  <PubChem CID>
62707006

>  <Formula>
C22H30N4O2

>  <Molecular Weight>
382.508000

>  <IUPAC Name>
6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propylamino]-2,3-dihydroinden-1-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)C1=NOC(=N1)N2CCC(CC2)CCCNC3=CC4=C(CCC4=O)C=C3

>  <Isomeric SMILES>
CC(C)C1=NOC(=N1)N2CCC(CC2)CCCNC3=CC4=C(CCC4=O)C=C3

>  <InChI Std. ID>
InChI=1S/C22H30N4O2/c1-15(2)21-24-22(28-25-21)26-12-9-16(10-13-26)4-3-11-23-18-7-5-17-6-8-20(27)19(17)14-18/h5,7,14-16,23H,3-4,6,8-13H2,1-2H3

>  <InChI Key>
AAEXAWXHXYDQNR-UHFFFAOYSA-N

