General Information of the Compound
| Compound ID |
CP0482808
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| Compound Name |
US9434711, 76
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| Structure |
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| Formula |
C22H15ClF4N2O2S2
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| Molecular Weight |
514.953
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)nc1
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| InChI |
InChI=1S/C22H15ClF4N2O2S2/c1-13-16-4-2-3-5-19(16)32-21(13)29(33(30,31)15-7-9-20(23)28-11-15)12-14-6-8-18(24)17(10-14)22(25,26)27/h2-11H,12H2,1H3
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| InChIKey |
PEORTMVDIAZZDQ-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