
 CHEMBL145894

 86 90  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL145894

>  <PubChem CID>
10651636

>  <Formula>
C36H40F2N4O4

>  <Molecular Weight>
630.737000

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

>  <XlogP>
6.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2(CCN(CC2)CCCNC(=O)N3C(C(=C(NC3=O)C)C(=O)OC)C4=CC(=C(C=C4)F)F)C5=CC=CC=C5C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2(CCN(CC2)CCCNC(=O)N3C(C(=C(NC3=O)C)C(=O)OC)C4=CC(=C(C=C4)F)F)C5=CC=CC=C5C

>  <InChI Std. ID>
InChI=1S/C36H40F2N4O4/c1-23-10-13-27(14-11-23)36(28-9-6-5-8-24(28)2)16-20-41(21-17-36)19-7-18-39-34(44)42-32(26-12-15-29(37)30(38)22-26)31(33(43)46-4)25(3)40-35(42)45/h5-6,8-15,22,32H,7,16-21H2,1-4H3,(H,39,44)(H,40,45)

>  <InChI Key>
ARVUOFMRSSPQPL-UHFFFAOYSA-N

