General Information of the Compound
| Compound ID |
CP0517876
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| Compound Name |
US9040693, 22
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| Structure |
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| Formula |
C22H16ClN3O6S2
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| Molecular Weight |
517.972
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| Canonical SMILES |
OC(=O)c1scc2[nH]c(=O)n(-c3cc(ccc3Cl)S(=O)(=O)N3CCCc4ccccc34)c(=O)c12
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| InChI |
InChI=1S/C22H16ClN3O6S2/c23-14-8-7-13(34(31,32)25-9-3-5-12-4-1-2-6-16(12)25)10-17(14)26-20(27)18-15(24-22(26)30)11-33-19(18)21(28)29/h1-2,4,6-8,10-11H,3,5,9H2,(H,24,30)(H,28,29)
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| InChIKey |
OAPXLIYGMXPBRL-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