General Information of the Compound
| Compound ID |
CP0512253
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| Compound Name |
US8987445, 196
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| Structure |
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| Formula |
C26H19ClN2O4S2
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| Molecular Weight |
523.035
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cc2c(Cl)cccc2s1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H19ClN2O4S2/c1-16-21-6-3-2-5-18(21)14-28-25(16)29(15-19-13-22-23(27)7-4-8-24(22)34-19)35(32,33)20-11-9-17(10-12-20)26(30)31/h2-14H,15H2,1H3,(H,30,31)
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| InChIKey |
PEDFKKHROBDLPW-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