
 CHEMBL244369

 72 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL244369

>  <PubChem CID>
16756186

>  <Formula>
C28H38FN3O2

>  <Molecular Weight>
467.629000

>  <IUPAC Name>
N-[3-[1-[3-[[(2R)-2-(4-fluorophenyl)propanoyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CCCNC(=O)C(C)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CCCNC(=O)[C@H](C)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C28H38FN3O2/c1-19(2)27(33)31-25-11-6-20(3)26(18-25)23-12-16-32(17-13-23)15-5-14-30-28(34)21(4)22-7-9-24(29)10-8-22/h6-11,18-19,21,23H,5,12-17H2,1-4H3,(H,30,34)(H,31,33)/t21-/m1/s1

>  <InChI Key>
AFEOXYGIEXXWKX-OAQYLSRUSA-N

