General Information of the Compound
| Compound ID |
CP0471286
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| Compound Name |
US9464076, 71
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| Structure |
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| Formula |
C27H28N2O5S
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| Molecular Weight |
492.597
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| Canonical SMILES |
COCCOCc1cccc2nc(NC(=O)c3sc4c(ccc(COC)c4c3C)C(C)=O)ccc12
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| InChI |
InChI=1S/C27H28N2O5S/c1-16-24-19(14-33-4)8-9-20(17(2)30)26(24)35-25(16)27(31)29-23-11-10-21-18(15-34-13-12-32-3)6-5-7-22(21)28-23/h5-11H,12-15H2,1-4H3,(H,28,29,31)
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| InChIKey |
OHOPTHMYXPNPGS-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