General Information of the Compound
| Compound ID |
CP0271435
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| Compound Name |
US10550091, No. LC-69
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| Structure |
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| Formula |
C20H21ClN2O3S
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| Molecular Weight |
404.919
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| Canonical SMILES |
COc1ccc(Cl)cc1-c1ncc([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C20H21ClN2O3S/c1-20(2,3)13-5-8-15(9-6-13)27(24,25)18-12-22-19(23-18)16-11-14(21)7-10-17(16)26-4/h5-12H,1-4H3,(H,22,23)
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| InChIKey |
YISUIHNSTXREED-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