General Information of the Compound
| Compound ID |
CP0565324
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| Compound Name |
US9464076, 93
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| Structure |
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| Formula |
C24H20N2O5S
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| Molecular Weight |
448.5
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(cccc4n3)C(O)=O)c(C)c12
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| InChI |
InChI=1S/C24H20N2O5S/c1-12-20-14(11-31-3)7-8-15(13(2)27)22(20)32-21(12)23(28)26-19-10-9-16-17(24(29)30)5-4-6-18(16)25-19/h4-10H,11H2,1-3H3,(H,29,30)(H,25,26,28)
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| InChIKey |
MPEWBUPGSVURLX-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