General Information of the Compound
| Compound ID |
CP0561973
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| Compound Name |
US9434711, 657
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| Structure |
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| Formula |
C23H25NO5S2
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| Molecular Weight |
459.589
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| Canonical SMILES |
CC(C)(O)c1c(sc2ccccc12)N(CCC1CC1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H25NO5S2/c1-23(2,27)20-18-5-3-4-6-19(18)30-21(20)24(14-13-15-7-8-15)31(28,29)17-11-9-16(10-12-17)22(25)26/h3-6,9-12,15,27H,7-8,13-14H2,1-2H3,(H,25,26)
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| InChIKey |
IAEAQPQRCGYLRO-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