General Information of the Compound
| Compound ID |
CP0444982
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| Compound Name |
US9464076, 85
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| Structure |
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| Formula |
C26H25N3O5S
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| Molecular Weight |
491.569
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COC(=O)CN)cccc4n3)c(C)c12
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| InChI |
InChI=1S/C26H25N3O5S/c1-14-23-17(12-33-3)7-8-18(15(2)30)25(23)35-24(14)26(32)29-21-10-9-19-16(13-34-22(31)11-27)5-4-6-20(19)28-21/h4-10H,11-13,27H2,1-3H3,(H,28,29,32)
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| InChIKey |
GUDSJXDGBJTSIO-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