General Information of the Compound
| Compound ID |
CP0079146
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| Compound Name |
US10239843, Example 34
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| Structure |
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| Formula |
C20H27N3O4S
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| Molecular Weight |
405.52
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| Canonical SMILES |
Cn1c(=O)n(CC2CCCCC2)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1
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| InChI |
InChI=1S/C20H27N3O4S/c1-20(10-11-20)21-28(26,27)15-8-9-17-16(12-15)18(24)22(2)19(25)23(17)13-14-6-4-3-5-7-14/h8-9,12,14,21H,3-7,10-11,13H2,1-2H3
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| InChIKey |
PGXWRSXTTAGNRT-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