
 SCHEMBL1704133

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1704133

>  <PubChem CID>
15984995

>  <Formula>
C25H32F2N4O

>  <Molecular Weight>
442.555000

>  <IUPAC Name>
1-[4-(3,4-difluoroanilino)piperidin-1-yl]-2-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]ethanone

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC(=C(C=C4)F)F

>  <Isomeric SMILES>
C[C@H]1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC(=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C25H32F2N4O/c1-18-16-30(13-10-28-18)17-20-4-2-19(3-5-20)14-25(32)31-11-8-21(9-12-31)29-22-6-7-23(26)24(27)15-22/h2-7,15,18,21,28-29H,8-14,16-17H2,1H3/t18-/m0/s1

>  <InChI Key>
HEOZLKUZJWVEOW-SFHVURJKSA-N

