General Information of the Compound
| Compound ID |
CP0548819
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| Compound Name |
US8772297, Y196
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| Structure |
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| Formula |
C23H31N3O7S2
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| Molecular Weight |
525.649
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(O)cc2)CC1
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| InChI |
InChI=1S/C23H31N3O7S2/c1-23(2,3)33-22(28)26-13-11-17(12-14-26)16-24-34(29,30)20-5-4-6-21(15-20)35(31,32)25-18-7-9-19(27)10-8-18/h4-10,15,17,24-25,27H,11-14,16H2,1-3H3
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| InChIKey |
FOGSOIFBEOMPBL-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