
 CHEMBL161202

 76 80  0  0  0  0  0  0  0  0999 V2000
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    5.1570   -7.3392   -2.7483 H   0  0  0  0  0
    7.4564   -9.3334   -0.6674 H   0  0  0  0  0
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   11.3522  -15.3506   -2.1680 H   0  0  0  0  0
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   12.3283  -18.7128   -1.9769 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL161202

>  <PubChem CID>
44374162

>  <Formula>
C29H36FN5O5

>  <Molecular Weight>
553.635000

>  <IUPAC Name>
N-[(2R)-1-[4-[3-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C(=O)N1CCCN(CC1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)C4CCCC4)F)NC(=O)C5=CC=CO5

>  <Isomeric SMILES>
C[C@H](C(=O)N1CCCN(CC1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)C4CCCC4)F)NC(=O)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C29H36FN5O5/c1-20(31-27(36)25-9-4-17-39-25)29(37)35-14-5-12-34(15-16-35)13-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-2-3-8-21/h4,9-11,17,19-21H,2-3,5-8,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1

>  <InChI Key>
AHOYJVPDAHEACX-HXUWFJFHSA-N

