General Information of the Compound
| Compound ID |
CP0535671
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| Compound Name |
US9464076, 50
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| Structure |
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| Formula |
C28H27N3O5S
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| Molecular Weight |
517.607
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3cc(C(=O)N4CC[C@@H](O)C4)c4ccccc4n3)c(C)c12
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| InChI |
InChI=1S/C28H27N3O5S/c1-15-24-17(14-36-3)8-9-19(16(2)32)26(24)37-25(15)27(34)30-23-12-21(20-6-4-5-7-22(20)29-23)28(35)31-11-10-18(33)13-31/h4-9,12,18,33H,10-11,13-14H2,1-3H3,(H,29,30,34)/t18-/m1/s1
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| InChIKey |
OIZLECGRNSLXAR-GOSISDBHSA-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