
 CHEMBL431248

 69 73  0  0  0  0  0  0  0  0999 V2000
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   14.1062   -1.4693   -1.7862 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL431248

>  <PubChem CID>
44340783

>  <Formula>
C30H30F2N4O3

>  <Molecular Weight>
532.592000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)CC3CCCN3CC4=CC=CC=N4)C5=CC(=CC=C5)OC

>  <Isomeric SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)C[C@@H]3CCCN3CC4=CC=CC=N4)C5=CC(=CC=C5)OC

>  <InChI Std. ID>
InChI=1S/C30H30F2N4O3/c1-20-28(21-8-5-11-24(16-21)39-2)29(37)36(30(38)35(20)19-25-26(31)12-6-13-27(25)32)18-23-10-7-15-34(23)17-22-9-3-4-14-33-22/h3-6,8-9,11-14,16,23H,7,10,15,17-19H2,1-2H3/t23-/m0/s1

>  <InChI Key>
BIBBCWVYCRICCF-QHCPKHFHSA-N

