General Information of the Compound
| Compound ID |
CP0554378
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| Compound Name |
US9434711, 94
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| Structure |
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| Formula |
C20H21NO4S2
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| Molecular Weight |
403.525
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| Canonical SMILES |
COC(=O)[C@@H](C)CN(c1sc2ccccc2c1C)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H21NO4S2/c1-14(20(22)25-3)13-21(27(23,24)16-9-5-4-6-10-16)19-15(2)17-11-7-8-12-18(17)26-19/h4-12,14H,13H2,1-3H3/t14-/m0/s1
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| InChIKey |
WREWEOWZYOZQJQ-AWEZNQCLSA-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