General Information of the Compound
| Compound ID |
CP0474980
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| Compound Name |
US9422235, 50
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| Structure |
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| Formula |
C20H24Cl2F3N3O2S
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| Molecular Weight |
498.398
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| Canonical SMILES |
CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
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| InChI |
InChI=1S/C20H24Cl2F3N3O2S/c1-19(2,12-28(3)4)11-26-31(29,30)18-8-6-14(10-15(18)20(23,24)25)27-17-7-5-13(21)9-16(17)22/h5-10,26-27H,11-12H2,1-4H3
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| InChIKey |
WEPQNBYDVLRSOG-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