General Information of the Compound
| Compound ID |
CP0329678
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| Compound Name |
US10550091, No. LC-73
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| Structure |
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| Formula |
C22H26N2O4S
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| Molecular Weight |
414.527
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| Canonical SMILES |
COc1ccc(OC)c(c1)-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C22H26N2O4S/c1-14-21(29(25,26)17-10-7-15(8-11-17)22(2,3)4)24-20(23-14)18-13-16(27-5)9-12-19(18)28-6/h7-13H,1-6H3,(H,23,24)
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| InChIKey |
OWXOLWIOYFIMBU-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