
 CHEMBL3818625

 66 69  0  0  0  0  0  0  0  0999 V2000
    0.5324    1.8519   -0.6206 C   0  0  0  0  0
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    5.5788   -6.3534    2.5413 O   0  0  0  0  0
    5.5271   -7.5627    1.7847 C   0  0  0  0  0
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    0.8104    2.0317   -1.6660 H   0  0  0  0  0
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    4.9169   -3.4815    2.0655 H   0  0  0  0  0
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    4.5113   -7.6833    1.3980 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3818625

>  <PubChem CID>
118568922

>  <Formula>
C27H30FN3O5

>  <Molecular Weight>
495.551000

>  <IUPAC Name>
methyl (2S)-2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]acetate

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)NC(C4CCCCC4)C(=O)OC

>  <Isomeric SMILES>
COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)N[C@@H](C4CCCCC4)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C27H30FN3O5/c1-34-22-10-7-11-23(35-2)24(22)21-16-20(30-31(21)19-14-12-18(28)13-15-19)26(32)29-25(27(33)36-3)17-8-5-4-6-9-17/h7,10-17,25H,4-6,8-9H2,1-3H3,(H,29,32)/t25-/m0/s1

>  <InChI Key>
CDUCTPJOMINZRB-VWLOTQADSA-N

