General Information of the Compound
| Compound ID |
CP0475013
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| Compound Name |
US9464076, 113
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| Structure |
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| Formula |
C24H22N2O4S
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| Molecular Weight |
434.517
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| Canonical SMILES |
COCc1cccc2nc(NC(=O)c3sc4c(ccc(CO)c4c3C)C(C)=O)ccc12
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| InChI |
InChI=1S/C24H22N2O4S/c1-13-21-15(11-27)7-8-17(14(2)28)23(21)31-22(13)24(29)26-20-10-9-18-16(12-30-3)5-4-6-19(18)25-20/h4-10,27H,11-12H2,1-3H3,(H,25,26,29)
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| InChIKey |
YWOYWRCZGYCSEN-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