
 BDBM50286211

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50286211

>  <PubChem CID>
91934856

>  <Formula>
C31H31ClN6O4

>  <Molecular Weight>
587.077000

>  <IUPAC Name>
ethyl 4-(2-chlorophenyl)-2-methyl-6-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)ethoxymethyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCOC(=O)C1=C(N=C(C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)COCCN4C(=NC5=C4C=CC=N5)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(N=C(C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)COCCN4C(=NC5=C4C=CC=N5)C

>  <InChI Std. ID>
InChI=1S/C31H31ClN6O4/c1-4-42-31(40)28-23(18-41-17-16-38-20(3)36-29-24(38)12-9-15-34-29)35-19(2)26(27(28)21-10-5-6-11-22(21)32)30(39)37-25-13-7-8-14-33-25/h5-15,26-27H,4,16-18H2,1-3H3,(H,33,37,39)

>  <InChI Key>
BDRBYCYUWGCCHT-UHFFFAOYSA-N

