General Information of the Compound
| Compound ID |
CP0544293
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| Compound Name |
US9428456, 1.352
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| Structure |
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| Formula |
C25H33N3O4S
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| Molecular Weight |
471.623
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(c3)S(C)(=O)=O)c2)CC1
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| InChI |
InChI=1S/C25H33N3O4S/c1-25(2,3)27-24(30)19-11-13-28(14-12-19)17-18-7-5-9-21(15-18)26-23(29)20-8-6-10-22(16-20)33(4,31)32/h5-10,15-16,19H,11-14,17H2,1-4H3,(H,26,29)(H,27,30)
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| InChIKey |
UZOZBTCRTQGNOO-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