General Information of the Compound
| Compound ID |
CP0535675
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| Compound Name |
US9464076, 62
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| Structure |
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| Formula |
C26H27N3O3S
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| Molecular Weight |
461.587
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(CN(C)C)cccc4n3)c(C)c12
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| InChI |
InChI=1S/C26H27N3O3S/c1-15-23-18(14-32-5)9-10-19(16(2)30)25(23)33-24(15)26(31)28-22-12-11-20-17(13-29(3)4)7-6-8-21(20)27-22/h6-12H,13-14H2,1-5H3,(H,27,28,31)
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| InChIKey |
HQRLJAZCRZPKRC-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