
 CHEMBL475282

 71 75  0  0  0  0  0  0  0  0999 V2000
    2.6122    1.3296   -1.9840 C   0  0  0  0  0
    3.0462    0.6776   -0.6922 C   0  0  0  0  0
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   -1.2419   -5.9110  -10.8498 H   0  0  0  0  0
    3.4343    3.4203   -0.6435 H   0  0  0  0  0
    4.1469    3.4474    0.9421 H   0  0  0  0  0
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   -1.7630    6.1788    0.2725 H   0  0  0  0  0
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   -2.9600    7.8233    3.5480 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL475282

>  <PubChem CID>
25208898

>  <Formula>
C30H31ClN6O3

>  <Molecular Weight>
559.067000

>  <IUPAC Name>
N-[3-[[5-chloro-4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CN=C(C=C3)OC)CN4C(=O)C(=C(C=N4)N5CCN(CC5)C)Cl

>  <Isomeric SMILES>
CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CN=C(C=C3)OC)CN4C(=O)C(=C(C=N4)N5CCN(CC5)C)Cl

>  <InChI Std. ID>
InChI=1S/C30H31ClN6O3/c1-20-24(19-37-30(39)28(31)26(18-33-37)36-15-13-35(2)14-16-36)5-4-6-25(20)34-29(38)22-9-7-21(8-10-22)23-11-12-27(40-3)32-17-23/h4-12,17-18H,13-16,19H2,1-3H3,(H,34,38)

>  <InChI Key>
IUZKBFCBDOJCDA-UHFFFAOYSA-N

