
 CHEMBL489479

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL489479

>  <PubChem CID>
15984318

>  <Formula>
C28H39FN4O

>  <Molecular Weight>
466.645000

>  <IUPAC Name>
2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-1-[4-(4-fluoroanilino)piperidin-1-yl]-2-methylpropan-1-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(CC(N1)C)CC2=CC=C(C=C2)C(C)(C)C(=O)N3CCC(CC3)NC4=CC=C(C=C4)F

>  <Isomeric SMILES>
C[C@@H]1CN(C[C@@H](N1)C)CC2=CC=C(C=C2)C(C)(C)C(=O)N3CCC(CC3)NC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C28H39FN4O/c1-20-17-32(18-21(2)30-20)19-22-5-7-23(8-6-22)28(3,4)27(34)33-15-13-26(14-16-33)31-25-11-9-24(29)10-12-25/h5-12,20-21,26,30-31H,13-19H2,1-4H3/t20-,21+

>  <InChI Key>
HUZVCBYMIXTYBP-OYRHEFFESA-N

