General Information of the Compound
| Compound ID |
CP0433143
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| Compound Name |
prop-2-ynyl 4-hydroxy-3-[[2-[2-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]acetyl]amino]benzoate
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| Structure |
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| Formula |
C20H14F3N3O5
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| Molecular Weight |
433.342
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| Canonical SMILES |
Oc1ccc(cc1NC(=O)COc1ccccc1C1(N=N1)C(F)(F)F)C(=O)OCC#C
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| InChI |
InChI=1S/C20H14F3N3O5/c1-2-9-30-18(29)12-7-8-15(27)14(10-12)24-17(28)11-31-16-6-4-3-5-13(16)19(25-26-19)20(21,22)23/h1,3-8,10,27H,9,11H2,(H,24,28)
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| InChIKey |
NZYSOVOOHVAMML-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