General Information of the Compound
| Compound ID |
CP0079144
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| Compound Name |
US10239843, Example 25
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| Structure |
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| Formula |
C16H21N3O5S
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| Molecular Weight |
367.427
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| Canonical SMILES |
COCCn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)NC1(C)CC1
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| InChI |
InChI=1S/C16H21N3O5S/c1-16(6-7-16)17-25(22,23)11-4-5-13-12(10-11)14(20)18(2)15(21)19(13)8-9-24-3/h4-5,10,17H,6-9H2,1-3H3
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| InChIKey |
GEYJHWRTAWSFMP-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