General Information of the Compound
| Compound ID |
CP0492924
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| Compound Name |
US9434711, 467
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| Structure |
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| Formula |
C23H26N2O5S2
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| Molecular Weight |
474.604
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| Canonical SMILES |
CCCCN(c1sc2ccccc2c1C(=O)N(C)C)S(=O)(=O)c1ccc(cc1)C(=O)OC
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| InChI |
InChI=1S/C23H26N2O5S2/c1-5-6-15-25(32(28,29)17-13-11-16(12-14-17)23(27)30-4)22-20(21(26)24(2)3)18-9-7-8-10-19(18)31-22/h7-14H,5-6,15H2,1-4H3
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| InChIKey |
HNDLWBJOOAJXGG-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