
 CHEMBL3104183

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3104183

>  <PubChem CID>
58055758

>  <Formula>
C27H34FN5O2

>  <Molecular Weight>
479.600000

>  <IUPAC Name>
N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C4=NC(=NO4)C(C)C)F

>  <Isomeric SMILES>
CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C4=NC(=NO4)C(C)C)F

>  <InChI Std. ID>
InChI=1S/C27H34FN5O2/c1-5-31(6-2)27(34)24(20-10-8-7-9-11-20)33-16-14-32(15-17-33)23-13-12-21(18-22(23)28)26-29-25(19(3)4)30-35-26/h7-13,18-19,24H,5-6,14-17H2,1-4H3

>  <InChI Key>
AIBHVTSSZVDNBU-UHFFFAOYSA-N

