General Information of the Compound
| Compound ID |
CP0517934
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| Compound Name |
US8772297, Y178
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| Structure |
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| Formula |
C25H36N4O6S2
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| Molecular Weight |
552.719
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| Canonical SMILES |
CN(C)c1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C25H36N4O6S2/c1-25(2,3)35-24(30)29-15-13-19(14-16-29)18-26-36(31,32)22-7-6-8-23(17-22)37(33,34)27-20-9-11-21(12-10-20)28(4)5/h6-12,17,19,26-27H,13-16,18H2,1-5H3
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| InChIKey |
QILDCXIKUWECFZ-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