General Information of the Compound
| Compound ID |
CP0356309
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| Compound Name |
US10550091, No. LC-54
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| Structure |
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| Formula |
C21H22ClN3O4S
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| Molecular Weight |
447.944
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| Canonical SMILES |
COc1ccc(Cl)cc1-n1nnc(c1C(C)=O)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C21H22ClN3O4S/c1-13(26)19-20(23-24-25(19)17-12-15(22)8-11-18(17)29-5)30(27,28)16-9-6-14(7-10-16)21(2,3)4/h6-12H,1-5H3
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| InChIKey |
LJRDEIDZVNCYAA-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