General Information of the Compound
| Compound ID |
CP0516772
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| Compound Name |
US9434711, 822
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| Structure |
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| Formula |
C20H22FNO3S2
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| Molecular Weight |
407.532
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| Canonical SMILES |
COC(C)c1c(sc2ccccc12)N(CCCF)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H22FNO3S2/c1-15(25-2)19-17-11-6-7-12-18(17)26-20(19)22(14-8-13-21)27(23,24)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3
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| InChIKey |
KYGOJUNEKTWOLR-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