
 CHEMBL474934

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL474934

>  <PubChem CID>
15604512

>  <Formula>
C26H35FN4O

>  <Molecular Weight>
438.591000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

>  <InChI Std. ID>
InChI=1S/C26H35FN4O/c1-19-16-30(17-20(2)28-19)18-22-5-3-21(4-6-22)15-26(32)31-13-11-25(12-14-31)29-24-9-7-23(27)8-10-24/h3-10,19-20,25,28-29H,11-18H2,1-2H3/t19-,20+

>  <InChI Key>
HXXABQAEGBRHAX-BGYRXZFFSA-N

