General Information of the Compound
| Compound ID |
CP0470373
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| Compound Name |
US9862730, Example 425
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| Structure |
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| Formula |
C28H21N3O5S2
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| Molecular Weight |
543.626
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC=O)cc2o1
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| InChI |
InChI=1S/C28H21N3O5S2/c1-37-28-30-31-14-23(29-27(31)38-28)26-13-22-24(11-21(35-17-32)12-25(22)36-26)34-16-19-8-5-9-20(10-19)33-15-18-6-3-2-4-7-18/h2-14,17H,15-16H2,1H3
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| InChIKey |
NHBCJUPBELHIDE-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