
 SCHEMBL2583224

 66 70  0  0  0  0  0  0  0  0999 V2000
    6.4066    5.2314   -0.7104 C   0  0  0  0  0
    6.3872    3.7299   -0.4655 C   0  0  0  0  0
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    7.2792    3.4491    0.1074 H   0  0  0  0  0
    6.4855    3.2264   -1.4355 H   0  0  0  0  0
    4.2346    3.5645   -0.3321 H   0  0  0  0  0
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    3.0626    1.1247   -3.8995 H   0  0  0  0  0
    3.9830    2.5386   -2.1109 H   0  0  0  0  0
    4.1182   -5.1096   -1.6865 H   0  0  0  0  0
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    1.8349   -5.9978   -6.0024 H   0  0  0  0  0
    2.2643   -3.6937   -5.3161 H   0  0  0  0  0
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    2.3142  -12.6444   -6.8941 H   0  0  0  0  0
  1  2  1  0  0  0
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 34 66  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2583224

>  <PubChem CID>
67462495

>  <Formula>
C27H32N4O3

>  <Molecular Weight>
460.578000

>  <IUPAC Name>
4-ethyl-3-[2-[4-(2-methyl-2-pyrrolidin-1-ylpropoxy)phenyl]-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(O3)C4=CC=C(C=C4)OCC(C)(C)N5CCCC5

>  <Isomeric SMILES>
CCC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(O3)C4=CC=C(C=C4)OCC(C)(C)N5CCCC5

>  <InChI Std. ID>
InChI=1S/C27H32N4O3/c1-4-18-16-24(32)29-30-25(18)20-9-12-22-23(15-20)34-26(28-22)19-7-10-21(11-8-19)33-17-27(2,3)31-13-5-6-14-31/h7-12,15,18H,4-6,13-14,16-17H2,1-3H3,(H,29,32)

>  <InChI Key>
AELKDYKSJZPORV-UHFFFAOYSA-N

