
 US8933079, 7.13

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M  END

>  <Chemical Name>
US8933079, 7.13

>  <PubChem CID>
91759584

>  <Formula>
C24H25ClN4O4

>  <Molecular Weight>
468.938000

>  <IUPAC Name>
5-[(5-chloropyridin-2-yl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=C1)CN2CCC(C2)O)C(=O)CN3C(=O)C=C(C=N3)OCC4=NC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)CN2CC[C@@H](C2)O)C(=O)CN3C(=O)C=C(C=N3)OCC4=NC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C24H25ClN4O4/c1-16-8-17(12-28-7-6-20(30)13-28)2-5-22(16)23(31)14-29-24(32)9-21(11-27-29)33-15-19-4-3-18(25)10-26-19/h2-5,8-11,20,30H,6-7,12-15H2,1H3/t20-/m0/s1

>  <InChI Key>
AHSZWDWETAJGMP-FQEVSTJZSA-N

