General Information of the Compound
| Compound ID |
CP0531002
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| Compound Name |
3-[4-cyano-2-(trifluoromethyl)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C19H13F6N3O5
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| Molecular Weight |
477.317
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| Canonical SMILES |
CC(O)(COc1ccc(cc1C(F)(F)F)C#N)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
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| InChI |
InChI=1S/C19H13F6N3O5/c1-17(30,9-33-15-5-2-10(8-26)6-13(15)19(23,24)25)16(29)27-11-3-4-14(28(31)32)12(7-11)18(20,21)22/h2-7,30H,9H2,1H3,(H,27,29)
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| InChIKey |
WHRQNLJHQFDZHA-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