General Information of the Compound
| Compound ID |
CP0500943
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| Compound Name |
US9464076, 14
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| Structure |
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| Formula |
C24H20N2O4S
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| Molecular Weight |
432.501
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| Canonical SMILES |
CC(=O)c1ccc(C(C)=O)c2c(C)c(sc12)C(=O)Nc1cc(CO)c2ccccc2n1
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| InChI |
InChI=1S/C24H20N2O4S/c1-12-21-16(13(2)28)8-9-17(14(3)29)23(21)31-22(12)24(30)26-20-10-15(11-27)18-6-4-5-7-19(18)25-20/h4-10,27H,11H2,1-3H3,(H,25,26,30)
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| InChIKey |
KBWBSHBRZHDULJ-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