General Information of the Compound
| Compound ID |
CP0557623
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| Compound Name |
US9067871, 78
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| Structure |
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| Formula |
C26H35ClN2O5S
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| Molecular Weight |
523.095
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| Canonical SMILES |
CCCS(=O)(=O)N(C)CCOc1ccc2CCC(NC(=O)OCC)C(Cc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C26H35ClN2O5S/c1-4-15-35(31,32)29(3)13-14-34-22-11-9-20-10-12-25(28-26(30)33-5-2)24(23(20)18-22)17-19-7-6-8-21(27)16-19/h6-9,11,16,18,24-25H,4-5,10,12-15,17H2,1-3H3,(H,28,30)
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| InChIKey |
SEMIYAVYWMYDNZ-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