
 CHEMBL561839

 46 49  0  0  0  0  0  0  0  0999 V2000
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    4.1852    0.5063    1.4679 C   0  0  0  0  0
    3.1032    1.2993    1.1579 O   0  0  0  0  0
    1.8132    0.7043    1.0759 C   0  0  0  0  0
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    8.5031   -7.3906    2.2376 H   0  0  0  0  0
    8.7680   -6.7439    3.8755 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL561839

>  <PubChem CID>
44191224

>  <Formula>
C21H18Cl2N4O

>  <Molecular Weight>
413.302000

>  <IUPAC Name>
8-[(3,5-dichloropyridin-4-yl)methoxy]-4-(1,5-dimethylimidazol-2-yl)-2-methylquinoline

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=NC=C3Cl)Cl)C(=C1)C4=NC=C(N4C)C

>  <Isomeric SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=NC=C3Cl)Cl)C(=C1)C4=NC=C(N4C)C

>  <InChI Std. ID>
InChI=1S/C21H18Cl2N4O/c1-12-7-15(21-25-8-13(2)27(21)3)14-5-4-6-19(20(14)26-12)28-11-16-17(22)9-24-10-18(16)23/h4-10H,11H2,1-3H3

>  <InChI Key>
BZPSIAUYWXREOW-UHFFFAOYSA-N

