
 SCHEMBL2767377

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M  END

>  <Chemical Name>
SCHEMBL2767377

>  <PubChem CID>
23728692

>  <Formula>
C25H26F2N4O

>  <Molecular Weight>
436.507000

>  <IUPAC Name>
N-[2-fluoro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(3-fluorophenyl)-N-methylpyridine-3-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CCN1)CC2=CC(=C(C=C2)N(C)C(=O)C3=CN=C(C=C3)C4=CC(=CC=C4)F)F

>  <Isomeric SMILES>
C[C@H]1CN(CCN1)CC2=CC(=C(C=C2)N(C)C(=O)C3=CN=C(C=C3)C4=CC(=CC=C4)F)F

>  <InChI Std. ID>
InChI=1S/C25H26F2N4O/c1-17-15-31(11-10-28-17)16-18-6-9-24(22(27)12-18)30(2)25(32)20-7-8-23(29-14-20)19-4-3-5-21(26)13-19/h3-9,12-14,17,28H,10-11,15-16H2,1-2H3/t17-/m0/s1

>  <InChI Key>
BONCPJJHOMEUCG-KRWDZBQOSA-N

