General Information of the Compound
| Compound ID |
CP0539851
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| Compound Name |
US8802721, 1
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| Structure |
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| Formula |
C18H9ClF5NOS
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| Molecular Weight |
417.786
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| Canonical SMILES |
Fc1cccc(F)c1NC(=O)c1ccc(s1)-c1cc(ccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C18H9ClF5NOS/c19-11-5-4-9(18(22,23)24)8-10(11)14-6-7-15(27-14)17(26)25-16-12(20)2-1-3-13(16)21/h1-8H,(H,25,26)
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| InChIKey |
ZYPDOLOIVUQBHA-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