General Information of the Compound
| Compound ID |
CP0495360
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| Compound Name |
US9434711, 621
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| Structure |
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| Formula |
C20H20F3NO4S2
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| Molecular Weight |
459.511
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| Canonical SMILES |
CC1=C(N(CCCCC(F)(F)F)S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C20H20F3NO4S2/c1-15-17-11-5-6-12-18(17)29(25,26)19(15)24(14-8-7-13-20(21,22)23)30(27,28)16-9-3-2-4-10-16/h2-6,9-12H,7-8,13-14H2,1H3
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| InChIKey |
YSTZSKLSRQYZSE-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