General Information of the Compound
| Compound ID |
CP0444981
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| Compound Name |
US9464076, 76
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| Structure |
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| Formula |
C25H24N2O4S
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| Molecular Weight |
448.544
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(cccc4n3)C(C)O)c(C)c12
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| InChI |
InChI=1S/C25H24N2O4S/c1-13-22-16(12-31-4)8-9-18(15(3)29)24(22)32-23(13)25(30)27-21-11-10-19-17(14(2)28)6-5-7-20(19)26-21/h5-11,14,28H,12H2,1-4H3,(H,26,27,30)
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| InChIKey |
UTKKKENTWPNDDJ-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