General Information of the Compound
| Compound ID |
CP0544696
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| Compound Name |
US8772297, Y141
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| Structure |
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| Formula |
C24H33N3O7S2
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| Molecular Weight |
539.676
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C24H33N3O7S2/c1-24(2,3)34-23(28)27-14-12-18(13-15-27)17-25-35(29,30)21-6-5-7-22(16-21)36(31,32)26-19-8-10-20(33-4)11-9-19/h5-11,16,18,25-26H,12-15,17H2,1-4H3
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| InChIKey |
BAQBUWNLXQAXTK-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