General Information of the Compound
| Compound ID |
CP0550786
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| Compound Name |
US9862730, Example 254
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| Structure |
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| Formula |
C26H18BrN3O3S
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| Molecular Weight |
532.419
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| Canonical SMILES |
Brc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1
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| InChI |
InChI=1S/C26H18BrN3O3S/c27-25-29-30-14-21(28-26(30)34-25)24-13-20-22(32-16-18-9-5-2-6-10-18)11-19(12-23(20)33-24)31-15-17-7-3-1-4-8-17/h1-14H,15-16H2
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| InChIKey |
UGZXNWFXZDRBKV-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