General Information of the Compound
| Compound ID |
CP0967676
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| Compound Name |
2-(3-nitrobenzamido)-N-(3-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C21H14F3N3O4
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| Molecular Weight |
429.354
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| Canonical SMILES |
O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C21H14F3N3O4/c22-21(23,24)14-6-4-7-15(12-14)25-20(29)17-9-1-2-10-18(17)26-19(28)13-5-3-8-16(11-13)27(30)31/h1-12H,(H,25,29)(H,26,28)
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| InChIKey |
LRBXFAJQBGFSJM-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