
 CHEMBL3582248

 70 73  0  0  0  0  0  0  0  0999 V2000
    0.0710    7.3529   -5.8196 C   0  0  0  0  0
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   -7.4179   -0.2808   -3.2088 H   0  0  0  0  0
   -7.7917   -1.9716   -2.8932 H   0  0  0  0  0
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    3.8960   12.2302   -3.5690 H   0  0  0  0  0
    2.9110    9.9671   -3.6183 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3582248

>  <PubChem CID>
117978042

>  <Formula>
C27H34FN5O3

>  <Molecular Weight>
495.599000

>  <IUPAC Name>
tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)C1=CC(=NN2C1=NC(=C2)C(=O)N3CCN(CC3(C)C)C(=O)OC(C)(C)C)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC(C)C1=CC(=NN2C1=NC(=C2)C(=O)N3CCN(CC3(C)C)C(=O)OC(C)(C)C)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C27H34FN5O3/c1-17(2)20-14-21(18-8-10-19(28)11-9-18)30-33-15-22(29-23(20)33)24(34)32-13-12-31(16-27(32,6)7)25(35)36-26(3,4)5/h8-11,14-15,17H,12-13,16H2,1-7H3

>  <InChI Key>
FUZRUDIEKWJRLC-UHFFFAOYSA-N

