General Information of the Compound
| Compound ID |
CP0140226
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| Compound Name |
US10562854, No. E33
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| Structure |
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| Formula |
C16H18N2O6S
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| Molecular Weight |
366.395
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| Canonical SMILES |
CN(CC(O)=O)Cc1ccn(c(=O)c1O)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C16H18N2O6S/c1-11-3-5-13(6-4-11)25(23,24)18-8-7-12(15(21)16(18)22)9-17(2)10-14(19)20/h3-8,21H,9-10H2,1-2H3,(H,19,20)
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| InChIKey |
SUGKSHMYQZJYRO-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