General Information of the Compound
| Compound ID |
CP0419653
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| Compound Name |
US9422235, 27
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| Structure |
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| Formula |
C19H23ClN2O5S
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| Molecular Weight |
426.922
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| Canonical SMILES |
COc1cc(Nc2ccc(c(Cl)c2)S(=O)(=O)NCC2CCCO2)cc(OC)c1
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| InChI |
InChI=1S/C19H23ClN2O5S/c1-25-16-8-14(9-17(11-16)26-2)22-13-5-6-19(18(20)10-13)28(23,24)21-12-15-4-3-7-27-15/h5-6,8-11,15,21-22H,3-4,7,12H2,1-2H3
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| InChIKey |
NUEREGULGFAGFS-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