
 SCHEMBL2825119

 70 73  0  0  0  0  0  0  0  0999 V2000
    1.4708    3.9814    1.1199 C   0  0  0  0  0
    1.9541    3.8501   -0.3159 C   0  0  0  0  0
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    5.1225   -3.6188    2.0676 Cl  0  0  0  0  0
    3.7777   -4.8814   -3.1093 Cl  0  0  0  0  0
    0.6375    4.6883    1.1794 H   0  0  0  0  0
    2.2738    4.3411    1.7715 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2825119

>  <PubChem CID>
46213946

>  <Formula>
C29H29Cl2N7O3

>  <Molecular Weight>
594.497000

>  <IUPAC Name>
3-[3-[5-[(3,5-dichloropyridin-4-yl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-N-[2-(dimethylamino)ethyl]benzamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN1C(=O)C(=CC(=N1)C2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)NCCN(C)C)NC(=O)NC4=C(C=NC=C4Cl)Cl

>  <Isomeric SMILES>
CCN1C(=O)C(=CC(=N1)C2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)NCCN(C)C)NC(=O)NC4=C(C=NC=C4Cl)Cl

>  <InChI Std. ID>
InChI=1S/C29H29Cl2N7O3/c1-4-38-28(40)25(34-29(41)35-26-22(30)16-32-17-23(26)31)15-24(36-38)20-9-5-7-18(13-20)19-8-6-10-21(14-19)27(39)33-11-12-37(2)3/h5-10,13-17H,4,11-12H2,1-3H3,(H,33,39)(H2,32,34,35,41)

>  <InChI Key>
AKYNAGZPIIPONO-UHFFFAOYSA-N

