
 SCHEMBL2768052

 61 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2768052

>  <PubChem CID>
23729106

>  <Formula>
C26H29FN4O

>  <Molecular Weight>
432.543000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C26H29FN4O/c1-18-16-31(14-13-28-18)17-20-7-9-23(10-8-20)30(3)26(32)24-11-12-25(29-19(24)2)21-5-4-6-22(27)15-21/h4-12,15,18,28H,13-14,16-17H2,1-3H3/t18-/m0/s1

>  <InChI Key>
HLDDGEFVROITRB-SFHVURJKSA-N

