General Information of the Compound
| Compound ID |
CP0563861
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| Compound Name |
US9067935, 9
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| Structure |
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| Formula |
C21H14ClF4N3O3S
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| Molecular Weight |
499.873
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Cl
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| InChI |
InChI=1S/C21H14ClF4N3O3S/c22-19-20(27-18-3-1-2-12-28(18)19)29(33(30,31)17-10-6-15(23)7-11-17)13-14-4-8-16(9-5-14)32-21(24,25)26/h1-12H,13H2
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| InChIKey |
MEWRYQBCYSHWNE-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