
 SCHEMBL2463331

 42 45  0  0  0  0  0  0  0  0999 V2000
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    0.6666   -3.7274   -1.0919 C   0  0  0  0  0
    0.4969   -3.2639   -2.2052 O   0  0  0  0  0
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    1.6609    2.7210   -0.0777 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2463331

>  <PubChem CID>
53467578

>  <Formula>
C18H16F2N4O2

>  <Molecular Weight>
358.349000

>  <IUPAC Name>
2-[(3R)-6-fluoro-3-[(5-fluoropyrimidin-2-yl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC2=C(CC1NC3=NC=C(C=N3)F)C4=C(N2CC(=O)O)C=CC(=C4)F

>  <Isomeric SMILES>
C1CC2=C(C[C@@H]1NC3=NC=C(C=N3)F)C4=C(N2CC(=O)O)C=CC(=C4)F

>  <InChI Std. ID>
InChI=1S/C18H16F2N4O2/c19-10-1-3-15-13(5-10)14-6-12(23-18-21-7-11(20)8-22-18)2-4-16(14)24(15)9-17(25)26/h1,3,5,7-8,12H,2,4,6,9H2,(H,25,26)(H,21,22,23)/t12-/m1/s1

>  <InChI Key>
ABVWNFNHZIHFOG-GFCCVEGCSA-N

