General Information of the Compound
| Compound ID |
CP0539066
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| Compound Name |
US9000044, 38
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| Structure |
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| Formula |
C26H22ClNO4S
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| Molecular Weight |
479.985
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
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| InChI |
InChI=1S/C26H22ClNO4S/c1-17-21(14-25(29)30)13-20-7-10-22(27)15-24(20)26(17)19-8-11-23(12-9-19)33(31,32)28-16-18-5-3-2-4-6-18/h2-13,15,28H,14,16H2,1H3,(H,29,30)
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| InChIKey |
LKDYPBWTCXKBQF-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