General Information of the Compound
| Compound ID |
CP0451429
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| Compound Name |
US9434711, 439
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| Structure |
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| Formula |
C23H22BrNO4S2
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| Molecular Weight |
520.47
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(C[C@@H]1C[C@@H]2CC[C@H]1C2)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C23H22BrNO4S2/c24-21-19-3-1-2-4-20(19)30-22(21)25(13-17-12-14-5-6-16(17)11-14)31(28,29)18-9-7-15(8-10-18)23(26)27/h1-4,7-10,14,16-17H,5-6,11-13H2,(H,26,27)/t14-,16+,17+/m1/s1
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| InChIKey |
JPAVIGHPWZOCDO-PVAVHDDUSA-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