
 SCHEMBL436170

 55 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL436170

>  <PubChem CID>
57378580

>  <Formula>
C25H22Cl2N4O2

>  <Molecular Weight>
481.377000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)Cl)NC2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N2CC#C

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)Cl)NC2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N2CC#C

>  <InChI Std. ID>
InChI=1S/C25H22Cl2N4O2/c1-3-13-31-24(33)21-15-30(23(32)18-6-10-20(27)11-7-18)14-12-22(21)29-25(31)28-16(2)17-4-8-19(26)9-5-17/h1,4-11,16H,12-15H2,2H3,(H,28,29)/t16-/m0/s1

>  <InChI Key>
GPVXFECHTYRHPG-INIZCTEOSA-N

