
 SCHEMBL2765637

 61 64  0  0  0  0  0  0  0  0999 V2000
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    3.3661   -3.1874   -2.0408 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2765637

>  <PubChem CID>
23728915

>  <Formula>
C25H28FN5O2

>  <Molecular Weight>
449.530000

>  <IUPAC Name>
6-(4-fluorophenoxy)-N-methyl-N-[4-methyl-5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridin-2-yl]pyridine-3-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(CCN1)CC2=CN=C(C=C2C)N(C)C(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)F

>  <Isomeric SMILES>
C[C@H]1CN(CCN1)CC2=CN=C(C=C2C)N(C)C(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C25H28FN5O2/c1-17-12-23(28-14-20(17)16-31-11-10-27-18(2)15-31)30(3)25(32)19-4-9-24(29-13-19)33-22-7-5-21(26)6-8-22/h4-9,12-14,18,27H,10-11,15-16H2,1-3H3/t18-/m0/s1

>  <InChI Key>
FBILDSAANWEWAK-SFHVURJKSA-N

