General Information of the Compound
| Compound ID |
CP0480824
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| Compound Name |
US9434711, 393
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| Structure |
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| Formula |
C21H22BrNO4S2
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| Molecular Weight |
496.448
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| Canonical SMILES |
CCCCCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H22BrNO4S2/c1-2-3-4-7-14-23(20-19(22)17-8-5-6-9-18(17)28-20)29(26,27)16-12-10-15(11-13-16)21(24)25/h5-6,8-13H,2-4,7,14H2,1H3,(H,24,25)
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| InChIKey |
SIJUUZTYHXHWQL-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