
 CHEMBL324759

 68 71  0  0  0  0  0  0  0  0999 V2000
    0.9710    0.3205    1.5522 C   0  0  0  0  0
    2.3795    0.3569    0.9942 C   0  0  0  0  0
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    0.2107    7.3535   -0.0532 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 40  1  0  0  0
  1 41  1  0  0  0
  2  9  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
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  4  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL324759

>  <PubChem CID>
44340656

>  <Formula>
C29H30F2N4O3

>  <Molecular Weight>
520.581000

>  <IUPAC Name>
1-[(2,6-difluorophenyl)methyl]-5-(3-methoxyphenyl)-6-methyl-3-[(2S)-2-[methyl(pyridin-2-ylmethyl)amino]propyl]pyrimidine-2,4-dione

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)CC(C)N(C)CC3=CC=CC=N3)C4=CC(=CC=C4)OC

>  <Isomeric SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)C[C@H](C)N(C)CC3=CC=CC=N3)C4=CC(=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m0/s1

>  <InChI Key>
ACHAWAOSLYJAMP-IBGZPJMESA-N

