General Information of the Compound
| Compound ID |
CP0538624
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| Compound Name |
US9862730, Example 98
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| Structure |
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| Formula |
C14H8F3N3O3S
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| Molecular Weight |
355.297
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2cc(OC(F)(F)F)ccc2o1
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| InChI |
InChI=1S/C14H8F3N3O3S/c1-21-13-19-20-6-9(18-12(20)24-13)11-5-7-4-8(23-14(15,16)17)2-3-10(7)22-11/h2-6H,1H3
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| InChIKey |
YWOWAVLUYBGUGR-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