
 CHEMBL342126

 80 84  0  0  0  0  0  0  0  0999 V2000
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   12.9608  -10.2031    1.4961 H   0  0  0  0  0
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   11.2782   -4.9360    2.2313 H   0  0  0  0  0
   12.5840   -3.7759    3.9381 H   0  0  0  0  0
   16.1370   -4.2073    1.6011 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL342126

>  <PubChem CID>
10508330

>  <Formula>
C34H34F4N4O4

>  <Molecular Weight>
638.664000

>  <IUPAC Name>
methyl 3-[3-[4,4-bis(4-fluorophenyl)piperidin-1-yl]propylcarbamoyl]-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C5=CC(=C(C=C5)F)F)C(=O)OC

>  <Isomeric SMILES>
CC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C5=CC(=C(C=C5)F)F)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C34H34F4N4O4/c1-21-29(31(43)46-2)30(22-4-13-27(37)28(38)20-22)42(33(45)40-21)32(44)39-16-3-17-41-18-14-34(15-19-41,23-5-9-25(35)10-6-23)24-7-11-26(36)12-8-24/h4-13,20,30H,3,14-19H2,1-2H3,(H,39,44)(H,40,45)

>  <InChI Key>
ABJKTLXATIQLEH-UHFFFAOYSA-N

