General Information of the Compound
| Compound ID |
CP0452807
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| Compound Name |
3-Nitro-N-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-benzamide
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| Structure |
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| Formula |
C20H12F6N2O4
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| Molecular Weight |
458.314
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| Canonical SMILES |
OC(c1ccc2ccccc2c1NC(=O)c1cccc(c1)[N+]([O-])=O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H12F6N2O4/c21-19(22,23)18(30,20(24,25)26)15-9-8-11-4-1-2-7-14(11)16(15)27-17(29)12-5-3-6-13(10-12)28(31)32/h1-10,30H,(H,27,29)
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| InChIKey |
HOIHZGNFCAITAJ-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