
 SCHEMBL435946

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL435946

>  <PubChem CID>
66685789

>  <Formula>
C28H29ClN6O3

>  <Molecular Weight>
533.029000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)NC2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)N5C=CN=C5)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)N5C=CN=C5)C(=O)N2OC

>  <InChI Std. ID>
InChI=1S/C28H29ClN6O3/c1-18(2)25(19-4-8-21(29)9-5-19)32-28-31-24-12-14-33(16-23(24)27(37)35(28)38-3)26(36)20-6-10-22(11-7-20)34-15-13-30-17-34/h4-11,13,15,17-18,25H,12,14,16H2,1-3H3,(H,31,32)

>  <InChI Key>
CQMGWYKAOYFMGL-UHFFFAOYSA-N

