General Information of the Compound
| Compound ID |
CP0087151
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| Compound Name |
2,2,2-Trifluoro-1-(5-{3-[(propylsulfonyl)methyl]-1,2,4-oxadiazol-5-yl}thiophen-2-yl)ethanone
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| Structure |
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| Formula |
C12H11F3N2O4S2
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| Molecular Weight |
368.358
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| Canonical SMILES |
CCCS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F
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| InChI |
InChI=1S/C12H11F3N2O4S2/c1-2-5-23(19,20)6-9-16-11(21-17-9)8-4-3-7(22-8)10(18)12(13,14)15/h3-4H,2,5-6H2,1H3
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| InChIKey |
ANGRBZMMPDQGNC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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