General Information of the Compound
| Compound ID |
CP0530433
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| Compound Name |
US9434711, 758
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| Structure |
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| Formula |
C21H21F4NO3S2
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| Molecular Weight |
475.529
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)CCCCO
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| InChI |
InChI=1S/C21H21F4NO3S2/c1-14-16-6-2-3-7-19(16)30-20(14)26(31(28,29)11-5-4-10-27)13-15-8-9-18(22)17(12-15)21(23,24)25/h2-3,6-9,12,27H,4-5,10-11,13H2,1H3
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| InChIKey |
IJZRVLOJHKIBEZ-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