
 CHEMBL584908

 54 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL584908

>  <PubChem CID>
45487514

>  <Formula>
C21H24FN5O2S

>  <Molecular Weight>
429.514000

>  <IUPAC Name>
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-[(2-fluoropyridin-4-yl)methyl]-4-morpholin-4-ylpyridin-2-amine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(OC(=N1)SCC2=NC(=CC(=C2)N3CCOCC3)NCC4=CC(=NC=C4)F)C

>  <Isomeric SMILES>
CC1=C(OC(=N1)SCC2=NC(=CC(=C2)N3CCOCC3)NCC4=CC(=NC=C4)F)C

>  <InChI Std. ID>
InChI=1S/C21H24FN5O2S/c1-14-15(2)29-21(25-14)30-13-17-10-18(27-5-7-28-8-6-27)11-20(26-17)24-12-16-3-4-23-19(22)9-16/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,24,26)

>  <InChI Key>
ARPJRPKFOVZWOP-UHFFFAOYSA-N

