General Information of the Compound
| Compound ID |
CP0547214
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| Compound Name |
US9862730, Example 311
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| Structure |
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| Formula |
C28H21F2N3O5S
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| Molecular Weight |
549.555
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cc(F)cc(F)c4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H21F2N3O5S/c1-34-21-10-24(22-12-26(38-25(22)11-21)23-13-33-27(31-23)39-28(32-33)35-2)37-14-16-4-3-5-20(8-16)36-15-17-6-18(29)9-19(30)7-17/h3-13H,14-15H2,1-2H3
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| InChIKey |
BWVKJBKVGFQHAA-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