General Information of the Compound
| Compound ID |
CP0538628
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| Compound Name |
US9862730, Example 301
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| Structure |
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| Formula |
C21H16FN3O3S2
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| Molecular Weight |
441.509
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| Canonical SMILES |
COc1cc(OCc2ccc(F)cc2)c2cc(oc2c1)-c1cn2nc(SC)sc2n1
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| InChI |
InChI=1S/C21H16FN3O3S2/c1-26-14-7-17(27-11-12-3-5-13(22)6-4-12)15-9-19(28-18(15)8-14)16-10-25-20(23-16)30-21(24-25)29-2/h3-10H,11H2,1-2H3
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| InChIKey |
SJOMYQBIXLBYET-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