General Information of the Compound
| Compound ID |
CP0488572
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| Compound Name |
US9434711, 167
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| Structure |
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| Formula |
C21H15BrN2O4S2
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| Molecular Weight |
503.399
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| Canonical SMILES |
[O-][N+](=O)c1cccc(CN(c2sc3ccccc3c2Br)S(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C21H15BrN2O4S2/c22-20-18-11-4-5-12-19(18)29-21(20)23(30(27,28)17-9-2-1-3-10-17)14-15-7-6-8-16(13-15)24(25)26/h1-13H,14H2
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| InChIKey |
USGRUJFVACLOHN-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