
 SCHEMBL16040151

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M  END

>  <Chemical Name>
SCHEMBL16040151

>  <PubChem CID>
90411831

>  <Formula>
C23H19F4N5O

>  <Molecular Weight>
457.433000

>  <IUPAC Name>
(3-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CC2C(CC1N2C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)NC5=NC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1C[C@H]2[C@@H](C[C@@H]1N2C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)NC5=NC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)/t14-,17-,18+/m1/s1

>  <InChI Key>
BDCUQVJRZGYIDS-OLMNPRSZSA-N

