
 CHEMBL1771231

 55 59  0  0  0  0  0  0  0  0999 V2000
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  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
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  3 37  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
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  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1771231

>  <PubChem CID>
54580546

>  <Formula>
C26H22ClN5O

>  <Molecular Weight>
455.946000

>  <IUPAC Name>
N-(2-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1C2=C3CN(CCC3=NC(=N2)C4=CN=CC=C4)C(=O)NC5=CC=CC=C5Cl

>  <Isomeric SMILES>
CC1=CC=CC=C1C2=C3CN(CCC3=NC(=N2)C4=CN=CC=C4)C(=O)NC5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C26H22ClN5O/c1-17-7-2-3-9-19(17)24-20-16-32(26(33)30-23-11-5-4-10-21(23)27)14-12-22(20)29-25(31-24)18-8-6-13-28-15-18/h2-11,13,15H,12,14,16H2,1H3,(H,30,33)

>  <InChI Key>
KNDVFDQFSOHVOI-UHFFFAOYSA-N

