General Information of the Compound
| Compound ID |
CP0480828
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| Compound Name |
US9434711, 454
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| Structure |
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| Formula |
C21H22BrNO5S2
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| Molecular Weight |
512.447
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| Canonical SMILES |
COC(C)(C)CCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H22BrNO5S2/c1-21(2,28-3)12-13-23(19-18(22)16-6-4-5-7-17(16)29-19)30(26,27)15-10-8-14(9-11-15)20(24)25/h4-11H,12-13H2,1-3H3,(H,24,25)
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| InChIKey |
WAPBAMDDIHNOLO-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