
 CHEMBL161279

 72 76  0  0  0  0  0  0  0  0999 V2000
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    3.4810    5.4986   -3.3635 N   0  0  0  0  0
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    6.7779    0.0889   -1.8470 H   0  0  0  0  0
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    3.4224   -4.8332   -3.6969 H   0  0  0  0  0
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  -10.0258   -9.5579   -1.0002 H   0  0  0  0  0
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    3.5256    1.2191   -0.7946 H   0  0  0  0  0
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    2.0906    5.4113   -0.2830 H   0  0  0  0  0
    3.1342    3.1703   -0.2708 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL161279

>  <PubChem CID>
44373847

>  <Formula>
C30H31FN6O4

>  <Molecular Weight>
558.614000

>  <IUPAC Name>
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C(=O)N1CCN(CC1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)C4=CC=CC=C4)F)NC(=O)C5=CN=CC=C5

>  <Isomeric SMILES>
C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)C4=CC=CC=C4)F)NC(=O)C5=CN=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H31FN6O4/c1-21(33-28(38)23-9-5-12-32-20-23)30(39)37-16-14-36(15-17-37)13-6-18-40-24-10-11-25(26(31)19-24)27-34-29(41-35-27)22-7-3-2-4-8-22/h2-5,7-12,19-21H,6,13-18H2,1H3,(H,33,38)/t21-/m1/s1

>  <InChI Key>
AZSDBZCRHARECA-OAQYLSRUSA-N

