General Information of the Compound
| Compound ID |
CP0012853
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| Compound Name |
US10307413, Compound 32
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| Structure |
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| Formula |
C19H23N3O4S
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| Molecular Weight |
389.477
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| Canonical SMILES |
NS(=O)(=O)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C19H23N3O4S/c20-27(25,26)18-7-3-6-15(10-18)19(24)21-11-17(23)13-22-9-8-14-4-1-2-5-16(14)12-22/h1-7,10,17,23H,8-9,11-13H2,(H,21,24)(H2,20,25,26)
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| InChIKey |
NNRYCPWPTAILSN-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