General Information of the Compound
| Compound ID |
CP0572473
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| Compound Name |
US9434711, 531
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| Structure |
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| Formula |
C21H19ClF3NO4S2
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| Molecular Weight |
505.967
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| Canonical SMILES |
COC(=O)c1ccc(cc1)S(=O)(=O)N(CCCCC(F)(F)F)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C21H19ClF3NO4S2/c1-30-20(27)14-8-10-15(11-9-14)32(28,29)26(13-5-4-12-21(23,24)25)19-18(22)16-6-2-3-7-17(16)31-19/h2-3,6-11H,4-5,12-13H2,1H3
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| InChIKey |
BOQZWSYWXZYTGV-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