General Information of the Compound
| Compound ID |
CP0550787
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| Compound Name |
US9862730, Example 242
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| Structure |
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| Formula |
C16H13F2N3O3S
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| Molecular Weight |
365.361
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| Canonical SMILES |
COc1cc(OC)c2cc(oc2c1)-c1cn2nc(sc2n1)C(C)(F)F
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| InChI |
InChI=1S/C16H13F2N3O3S/c1-16(17,18)14-20-21-7-10(19-15(21)25-14)13-6-9-11(23-3)4-8(22-2)5-12(9)24-13/h4-7H,1-3H3
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| InChIKey |
CZEGYLAUBPILER-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