General Information of the Compound
| Compound ID |
CP0535677
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| Compound Name |
US9464076, 94
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| Structure |
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| Formula |
C28H28N4O4S
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| Molecular Weight |
516.623
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(cccc4n3)C(=O)NN3CCCC3)c(C)c12
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| InChI |
InChI=1S/C28H28N4O4S/c1-16-24-18(15-36-3)9-10-19(17(2)33)26(24)37-25(16)28(35)30-23-12-11-20-21(7-6-8-22(20)29-23)27(34)31-32-13-4-5-14-32/h6-12H,4-5,13-15H2,1-3H3,(H,31,34)(H,29,30,35)
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| InChIKey |
ZQLMUPLYGJQWRG-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