General Information of the Compound
| Compound ID |
CP0394443
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| Compound Name |
5-nitro-N-[3-(trifluoromethyl)cyclohexyl]-2-furamide
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| Structure |
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| Formula |
C12H13F3N2O4
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| Molecular Weight |
306.24
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| Canonical SMILES |
[O-][N+](=O)c1ccc(o1)C(=O)NC1CCCC(C1)C(F)(F)F
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| InChI |
InChI=1S/C12H13F3N2O4/c13-12(14,15)7-2-1-3-8(6-7)16-11(18)9-4-5-10(21-9)17(19)20/h4-5,7-8H,1-3,6H2,(H,16,18)
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| InChIKey |
NUWMYORLVFUAAR-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3