General Information of the Compound
| Compound ID |
CP0010565
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| Compound Name |
US9745291, Compound 47
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| Structure |
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| Formula |
C21H26N2O5S
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| Molecular Weight |
418.515
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| Canonical SMILES |
CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C21H26N2O5S/c1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23/h2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25)
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| InChIKey |
HCRYIGPVUKXHRN-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