General Information of the Compound
| Compound ID |
CP0566968
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| Compound Name |
US9067871, 52
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| Structure |
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| Formula |
C26H30ClN3O5S2
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| Molecular Weight |
564.129
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)c3cnc(C)s3)cc2C1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C26H30ClN3O5S2/c1-3-34-26(31)30-24-10-8-19-7-9-21(15-22(19)23(24)14-18-5-4-6-20(27)13-18)35-12-11-29-37(32,33)25-16-28-17(2)36-25/h4-7,9,13,15-16,23-24,29H,3,8,10-12,14H2,1-2H3,(H,30,31)
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| InChIKey |
JIOUTSFXQKPYDT-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