
 CHEMBL3786967

 40 43  0  0  0  0  0  0  0  0999 V2000
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   -0.1985    0.9943   -0.5539 C   0  0  0  0  0
    1.0998    1.1941   -0.9889 C   0  0  0  0  0
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   -3.2892    2.3027    0.3440 O   0  0  0  0  0
   -2.2521    0.1821    0.1295 N   0  0  0  0  0
   -3.3664   -0.6898    0.2594 C   0  0  0  0  0
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   -4.5856   -0.3118   -0.3267 C   0  0  0  0  0
   -6.8611   -3.0979    0.5078 N   0  0  0  0  0
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    1.0932    4.6166   -0.9304 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3786967

>  <PubChem CID>
127033725

>  <Formula>
C20H13Cl2N3O2

>  <Molecular Weight>
398.243000

>  <IUPAC Name>
3-chloro-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)NC(=O)C4=C(C=CC=N4)Cl)Cl

>  <Isomeric SMILES>
C1C2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)NC(=O)C4=C(C=CC=N4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H13Cl2N3O2/c21-15-6-3-9-23-18(15)19(26)24-13-7-8-17(16(22)10-13)25-11-12-4-1-2-5-14(12)20(25)27/h1-10H,11H2,(H,24,26)

>  <InChI Key>
ANLQEDUVRYARCX-UHFFFAOYSA-N

