General Information of the Compound
| Compound ID |
CP0010796
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| Compound Name |
US9745291, Compound 111
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| Structure |
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| Formula |
C24H31N3O6S
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| Molecular Weight |
489.594
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| Canonical SMILES |
OC(CNC(=O)COc1ccccc1S(=O)(=O)N1CCC(O)C1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C24H31N3O6S/c28-20-10-12-27(16-20)34(31,32)23-8-4-3-7-22(23)33-17-24(30)25-13-21(29)15-26-11-9-18-5-1-2-6-19(18)14-26/h1-8,20-21,28-29H,9-17H2,(H,25,30)
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| InChIKey |
XDBRWOAASDXRNU-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