General Information of the Compound
| Compound ID |
CP0468509
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| Compound Name |
US9862730, Example 135
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| Structure |
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| Formula |
C12H7FN4O2S
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| Molecular Weight |
290.279
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1nc2cc(F)ccc2o1
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| InChI |
InChI=1S/C12H7FN4O2S/c1-18-12-16-17-5-8(15-11(17)20-12)10-14-7-4-6(13)2-3-9(7)19-10/h2-5H,1H3
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| InChIKey |
ZEWFIBZMELMBAI-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