General Information of the Compound
| Compound ID |
CP0500323
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| Compound Name |
US9000044, 31
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| Structure |
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| Formula |
C26H21Cl2NO4S
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| Molecular Weight |
514.43
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| Canonical SMILES |
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H21Cl2NO4S/c1-15-19(13-25(30)31)12-18-6-9-20(27)14-22(18)26(15)17-7-10-21(11-8-17)34(32,33)29-24-5-3-4-23(28)16(24)2/h3-12,14,29H,13H2,1-2H3,(H,30,31)
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| InChIKey |
QZUAMLZKQXLVCL-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