General Information of the Compound
| Compound ID |
CP0122107
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| Compound Name |
US10167313, Compound 36
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| Structure |
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| Formula |
C20H29NO6S
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| Molecular Weight |
411.52
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| Canonical SMILES |
CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)\C=C\S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H29NO6S/c1-19(2,3)26-17(22)14-15(21-18(23)27-20(4,5)6)12-13-28(24,25)16-10-8-7-9-11-16/h7-13,15H,14H2,1-6H3,(H,21,23)/b13-12+/t15-/m1/s1
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| InChIKey |
VUAFUTLGMQEWHT-RDRICISKSA-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