
 CHEMBL255861

 44 47  0  0  0  0  0  0  0  0999 V2000
    4.1788    3.2922   -0.5228 C   0  0  0  0  0
    5.6528    3.2860   -0.6021 C   0  0  0  0  0
    6.6065    4.2543   -0.8279 C   0  0  0  0  0
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    6.2499    2.0790   -0.4210 O   0  0  0  0  0
    8.4167    1.0807   -0.3303 C   0  0  0  0  0
    9.6924    1.2282    0.0349 N   0  0  0  0  0
   10.3869    0.0794    0.2006 C   0  0  0  0  0
    9.8380   -1.1713   -0.0330 C   0  0  0  0  0
    8.5240   -1.2007   -0.4338 C   0  0  0  0  0
    7.8092   -0.0878   -0.5666 N   0  0  0  0  0
    7.9252   -2.4267   -0.7201 N   0  0  0  0  0
    6.6490   -2.6738   -1.1561 C   0  0  0  0  0
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    4.3936   -1.9192   -1.9207 O   0  0  0  0  0
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    5.0907   -2.1042   -5.5606 C   0  0  0  0  0
    3.8227   -2.4645   -6.0118 C   0  0  0  0  0
    2.7871   -2.6223   -5.0942 C   0  0  0  0  0
    3.0298   -2.4210   -3.7345 C   0  0  0  0  0
    6.3711   -1.9035   -6.6959 Cl  0  0  0  0  0
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   13.9476    0.9872    1.4515 C   0  0  0  0  0
   12.4932    1.7484    0.9698 S   0  0  0  0  0
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    3.8314    2.6215    0.2702 H   0  0  0  0  0
    3.7442    2.9573   -1.4694 H   0  0  0  0  0
    6.4185    5.3021   -1.0171 H   0  0  0  0  0
    8.8443    4.0395   -0.8776 H   0  0  0  0  0
   10.4248   -2.0727    0.0970 H   0  0  0  0  0
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    1.7944   -2.9064   -5.4321 H   0  0  0  0  0
    2.2209   -2.5482   -3.0185 H   0  0  0  0  0
   14.5827   -1.1000    1.5919 H   0  0  0  0  0
   14.8052    1.5583    1.7768 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL255861

>  <PubChem CID>
44448024

>  <Formula>
C20H15ClN4O3S

>  <Molecular Weight>
426.875000

>  <IUPAC Name>
2-(3-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=C(O1)C2=NC(=CC(=N2)NC(=O)COC3=CC(=CC=C3)Cl)C4=NC=CS4

>  <Isomeric SMILES>
CC1=CC=C(O1)C2=NC(=CC(=N2)NC(=O)COC3=CC(=CC=C3)Cl)C4=NC=CS4

>  <InChI Std. ID>
InChI=1S/C20H15ClN4O3S/c1-12-5-6-16(28-12)19-23-15(20-22-7-8-29-20)10-17(25-19)24-18(26)11-27-14-4-2-3-13(21)9-14/h2-10H,11H2,1H3,(H,23,24,25,26)

>  <InChI Key>
AGJUEHKKCLPMSY-UHFFFAOYSA-N

