
 SCHEMBL1704149

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

>  <Chemical Name>
SCHEMBL1704149

>  <PubChem CID>
57586303

>  <Formula>
C25H32ClFN4O

>  <Molecular Weight>
459.006000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C25H32ClFN4O/c1-18-16-30(12-9-28-18)17-20-6-5-19(13-24(20)26)14-25(32)31-10-7-22(8-11-31)29-23-4-2-3-21(27)15-23/h2-6,13,15,18,22,28-29H,7-12,14,16-17H2,1H3/t18-/m0/s1

>  <InChI Key>
HOTLFLYDODUURG-SFHVURJKSA-N

