General Information of the Compound
| Compound ID |
CP0514249
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| Compound Name |
5-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)-2-({2-[(methoxycarbonyl)amino]-1H-1,3-benzodiazol-6-yl}oxy)-1-oxidopyridin-1-ium
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| Structure |
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| Formula |
C22H16F4N6O5
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| Molecular Weight |
520.399
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| Canonical SMILES |
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c[n+]3[O-])cc2[nH]1
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| InChI |
InChI=1S/C22H16F4N6O5/c1-36-21(34)31-19-28-15-6-4-13(9-17(15)29-19)37-18-7-3-12(10-32(18)35)27-20(33)30-16-8-11(22(24,25)26)2-5-14(16)23/h2-10H,1H3,(H2,27,30,33)(H2,28,29,31,34)
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| InChIKey |
XAIJULJJMLLWOQ-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