General Information of the Compound
| Compound ID |
CP0451353
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| Compound Name |
US9464076, 114
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| Structure |
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| Formula |
C23H20N2O4S
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| Molecular Weight |
420.49
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| Canonical SMILES |
CC(=O)c1ccc(CO)c2c(C)c(sc12)C(=O)Nc1ccc2c(CO)cccc2n1
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| InChI |
InChI=1S/C23H20N2O4S/c1-12-20-15(11-27)6-7-16(13(2)28)22(20)30-21(12)23(29)25-19-9-8-17-14(10-26)4-3-5-18(17)24-19/h3-9,26-27H,10-11H2,1-2H3,(H,24,25,29)
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| InChIKey |
JXYPGENRMHSETL-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