General Information of the Compound
| Compound ID |
CP0548862
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| Compound Name |
US9862730, Example 346
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| Structure |
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| Formula |
C28H22FN3O5S
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| Molecular Weight |
531.565
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(F)cc4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H22FN3O5S/c1-33-21-11-24(36-16-18-4-3-5-20(10-18)35-15-17-6-8-19(29)9-7-17)22-13-26(37-25(22)12-21)23-14-32-27(30-23)38-28(31-32)34-2/h3-14H,15-16H2,1-2H3
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| InChIKey |
KKAVIDXQJWURRZ-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