General Information of the Compound
| Compound ID |
CP0483820
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| Compound Name |
US11304929, Example 01-029
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| Structure |
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| Formula |
C21H22ClN3O5S
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| Molecular Weight |
463.943
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| Canonical SMILES |
COC(=O)CS(=O)(=O)c1ccc(nc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
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| InChI |
InChI=1S/C21H22ClN3O5S/c1-12-7-16(22)15-9-19(25(3)18(15)8-12)21(27)24-13(2)17-6-5-14(10-23-17)31(28,29)11-20(26)30-4/h5-10,13H,11H2,1-4H3,(H,24,27)/t13-/m1/s1
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| InChIKey |
WSKVCCFDWHWMMP-CYBMUJFWSA-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