General Information of the Compound
| Compound ID |
CP0535818
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| Compound Name |
US9434711, 463
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| Structure |
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| Formula |
C25H21F4NO5S2
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| Molecular Weight |
555.571
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| Canonical SMILES |
CC(C)(O)C1=C(N(Cc2ccc(F)c(c2)C(F)(F)F)S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C25H21F4NO5S2/c1-24(2,31)22-18-10-6-7-11-21(18)36(32,33)23(22)30(37(34,35)17-8-4-3-5-9-17)15-16-12-13-20(26)19(14-16)25(27,28)29/h3-14,31H,15H2,1-2H3
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| InChIKey |
NSJDPLQVVSYUHC-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