General Information of the Compound
| Compound ID |
CP0422578
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| Compound Name |
US9139578, 19
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| Structure |
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| Formula |
C25H17F3N4O5S2
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| Molecular Weight |
574.562
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| Canonical SMILES |
OS(=O)(=O)Cc1nnc(o1)C(NC(=O)c1ccc(cc1)C(F)(F)F)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C25H17F3N4O5S2/c26-25(27,28)17-9-6-15(7-10-17)22(33)30-21(23-32-31-20(37-23)13-39(34,35)36)24-29-18-11-8-16(12-19(18)38-24)14-4-2-1-3-5-14/h1-12,21H,13H2,(H,30,33)(H,34,35,36)
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| InChIKey |
LNYGEGMRWMWDLM-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