
 CHEMBL564841

 57 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL564841

>  <PubChem CID>
44190753

>  <Formula>
C24H24ClN5O2S

>  <Molecular Weight>
481.999000

>  <IUPAC Name>
2-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-3-yl]sulfanyl-N,N-dimethylacetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=NC=C3SCC(=O)N(C)C)Cl)C(=C1)C4=CC=NN4C

>  <Isomeric SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=NC=C3SCC(=O)N(C)C)Cl)C(=C1)C4=CC=NN4C

>  <InChI Std. ID>
InChI=1S/C24H24ClN5O2S/c1-15-10-17(20-8-9-27-30(20)4)16-6-5-7-21(24(16)28-15)32-13-18-19(25)11-26-12-22(18)33-14-23(31)29(2)3/h5-12H,13-14H2,1-4H3

>  <InChI Key>
BKFZIYZKRHILKM-UHFFFAOYSA-N

