General Information of the Compound
| Compound ID |
CP0551979
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| Compound Name |
US11304929, Example 01-012
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| Structure |
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| Formula |
C22H23ClN2O5S
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| Molecular Weight |
462.955
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| Canonical SMILES |
COC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
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| InChI |
InChI=1S/C22H23ClN2O5S/c1-13-9-18(23)17-11-20(25(3)19(17)10-13)22(27)24-14(2)15-5-7-16(8-6-15)31(28,29)12-21(26)30-4/h5-11,14H,12H2,1-4H3,(H,24,27)/t14-/m1/s1
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| InChIKey |
HVLKWPYGLCANLK-CQSZACIVSA-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