General Information of the Compound
| Compound ID |
CP0485559
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| Compound Name |
methyl 2-[[4-[2-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]ethynyl]benzoyl]amino]acetate
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| Formula |
C22H15F3N2O6
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| Molecular Weight |
460.364
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| Canonical SMILES |
COC(=O)CNC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C22H15F3N2O6/c1-32-19(28)12-26-21(29)15-7-4-13(5-8-15)2-3-14-6-9-18-16(10-14)11-17(27(30)31)20(33-18)22(23,24)25/h4-11,20H,12H2,1H3,(H,26,29)
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| InChIKey |
HTPLAOUYMFAAHC-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