
 SCHEMBL437427

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M  END

>  <Chemical Name>
SCHEMBL437427

>  <PubChem CID>
66686112

>  <Formula>
C25H26Cl2N4O3

>  <Molecular Weight>
501.408000

>  <IUPAC Name>
6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)NC2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N2OC

>  <Isomeric SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)NC2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N2OC

>  <InChI Std. ID>
InChI=1S/C25H26Cl2N4O3/c1-15(2)22(16-4-8-18(26)9-5-16)29-25-28-21-12-13-30(14-20(21)24(33)31(25)34-3)23(32)17-6-10-19(27)11-7-17/h4-11,15,22H,12-14H2,1-3H3,(H,28,29)

>  <InChI Key>
DCCOCVJECZDOOW-UHFFFAOYSA-N

