
 CHEMBL2204978

 64 68  0  0  0  0  0  0  0  0999 V2000
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    5.0408   10.0727   -2.4946 F   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2204978

>  <PubChem CID>
71208866

>  <Formula>
C24H28F3N5O3S

>  <Molecular Weight>
523.575000

>  <IUPAC Name>
(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1(CC2=CC(=NC=C2O1)C3=CCN(CC3)S(=O)(=O)C)C4CCN(CC4)C5=NC=C(C=N5)C(F)(F)F

>  <Isomeric SMILES>
C[C@]1(CC2=CC(=NC=C2O1)C3=CCN(CC3)S(=O)(=O)C)C4CCN(CC4)C5=NC=C(C=N5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H28F3N5O3S/c1-23(18-5-7-31(8-6-18)22-29-13-19(14-30-22)24(25,26)27)12-17-11-20(28-15-21(17)35-23)16-3-9-32(10-4-16)36(2,33)34/h3,11,13-15,18H,4-10,12H2,1-2H3/t23-/m0/s1

>  <InChI Key>
ADGJUTULKDDKNB-QHCPKHFHSA-N

