
 CHEMBL606976

 53 56  0  0  0  0  0  0  0  0999 V2000
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    5.1461   -5.5183   -1.4014 H   0  0  0  0  0
    3.4153   -5.2358   -1.3468 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL606976

>  <PubChem CID>
46225048

>  <Formula>
C21H23F2N5O2

>  <Molecular Weight>
415.445000

>  <IUPAC Name>
5-[3-[4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C=C(C=C1OC2CCN(CC2)C3=NN=C(N3C4=CN=C(C=C4)OC)C)F)F

>  <Isomeric SMILES>
CC1=C(C=C(C=C1OC2CCN(CC2)C3=NN=C(N3C4=CN=C(C=C4)OC)C)F)F

>  <InChI Std. ID>
InChI=1S/C21H23F2N5O2/c1-13-18(23)10-15(22)11-19(13)30-17-6-8-27(9-7-17)21-26-25-14(2)28(21)16-4-5-20(29-3)24-12-16/h4-5,10-12,17H,6-9H2,1-3H3

>  <InChI Key>
CGNRUWDZGYKKEN-UHFFFAOYSA-N

