General Information of the Compound
| Compound ID |
CP0574054
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| Compound Name |
US9862730, Example 247
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| Structure |
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| Formula |
C14H10FN3OS
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| Molecular Weight |
287.319
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| Canonical SMILES |
CC(F)c1nn2cc(nc2s1)-c1cc2ccccc2o1
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| InChI |
InChI=1S/C14H10FN3OS/c1-8(15)13-17-18-7-10(16-14(18)20-13)12-6-9-4-2-3-5-11(9)19-12/h2-8H,1H3
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| InChIKey |
PPGDTLZUJUUUMW-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