
 SCHEMBL15988159

 66 69  0  0  0  0  0  0  0  0999 V2000
    4.2853    2.4157   -3.5227 C   0  0  0  0  0
    5.2881    3.3896   -2.9097 C   0  0  0  0  0
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    9.4721    3.5443    2.3861 O   0  0  0  0  0
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   16.1803    5.2106   -7.6006 F   0  0  0  0  0
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    3.3669    2.9312   -3.8255 H   0  0  0  0  0
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    4.8553    1.8361    0.7348 H   0  0  0  0  0
    8.3495    3.4321    4.2020 H   0  0  0  0  0
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    3.4295    3.1050    4.3811 H   0  0  0  0  0
    4.5000    2.9833    2.2593 H   0  0  0  0  0
   11.4082    3.5430    1.1125 H   0  0  0  0  0
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   11.2377    2.4061   -3.7129 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL15988159

>  <PubChem CID>
90370666

>  <Formula>
C26H31ClFN5O2

>  <Molecular Weight>
500.015000

>  <IUPAC Name>
2-[4-(3-chlorophenyl)-1-[4-[2-(4-fluoropiperidin-1-yl)ethyl]phenyl]-5-oxo-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)NC(=O)CC1=NN(C(=O)N1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)CCN4CCC(CC4)F

>  <Isomeric SMILES>
CC(C)NC(=O)CC1=NN(C(=O)N1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)CCN4CCC(CC4)F

>  <InChI Std. ID>
InChI=1S/C26H31ClFN5O2/c1-18(2)29-25(34)17-24-30-33(26(35)32(24)23-5-3-4-20(27)16-23)22-8-6-19(7-9-22)10-13-31-14-11-21(28)12-15-31/h3-9,16,18,21H,10-15,17H2,1-2H3,(H,29,34)

>  <InChI Key>
AJTAGIZKJMGCGB-UHFFFAOYSA-N

