
 CHEMBL347909

 80 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL347909

>  <PubChem CID>
44374137

>  <Formula>
C31H38FN5O5

>  <Molecular Weight>
579.673000

>  <IUPAC Name>
N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-hydroxybenzamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C(=O)N1CCN(CC1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)CC4CCCC4)F)NC(=O)C5=CC=C(C=C5)O

>  <Isomeric SMILES>
C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)CC4CCCC4)F)NC(=O)C5=CC=C(C=C5)O

>  <InChI Std. ID>
InChI=1S/C31H38FN5O5/c1-21(33-30(39)23-7-9-24(38)10-8-23)31(40)37-16-14-36(15-17-37)13-4-18-41-25-11-12-26(27(32)20-25)29-34-28(42-35-29)19-22-5-2-3-6-22/h7-12,20-22,38H,2-6,13-19H2,1H3,(H,33,39)/t21-/m1/s1

>  <InChI Key>
BAOSTAGMWRQRGC-OAQYLSRUSA-N

