General Information of the Compound
| Compound ID |
CP0114463
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| Compound Name |
US8614253, 36-1
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| Structure |
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| Formula |
C11H12BrNO4S
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| Molecular Weight |
334.191
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| Canonical SMILES |
COc1cc(Br)cc(C2NCC(S2)C(O)=O)c1O
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| InChI |
InChI=1S/C11H12BrNO4S/c1-17-7-3-5(12)2-6(9(7)14)10-13-4-8(18-10)11(15)16/h2-3,8,10,13-14H,4H2,1H3,(H,15,16)
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| InChIKey |
PAZDIYSQBDEGKJ-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