
 CHEMBL235519

 75 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL235519

>  <PubChem CID>
44436014

>  <Formula>
C31H35ClF2N4O2

>  <Molecular Weight>
569.094000

>  <IUPAC Name>
6-[(4-chlorophenyl)methyl]-3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(C1)N2CCCC2CN3C(=O)C4=C(CCN(C4)CC5=CC=C(C=C5)Cl)N(C3=O)CC6=C(C=CC=C6F)F

>  <Isomeric SMILES>
C1CCC(C1)N2CCC[C@@H]2CN3C(=O)C4=C(CCN(C4)CC5=CC=C(C=C5)Cl)N(C3=O)CC6=C(C=CC=C6F)F

>  <InChI Std. ID>
InChI=1S/C31H35ClF2N4O2/c32-22-12-10-21(11-13-22)17-35-16-14-29-26(19-35)30(39)38(18-24-7-4-15-36(24)23-5-1-2-6-23)31(40)37(29)20-25-27(33)8-3-9-28(25)34/h3,8-13,23-24H,1-2,4-7,14-20H2/t24-/m1/s1

>  <InChI Key>
AUTSCZOWVXPUGG-XMMPIXPASA-N

