General Information of the Compound
| Compound ID |
CP0451417
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| Compound Name |
US9434711, 86
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| Structure |
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| Formula |
C21H23ClN2O4S2
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| Molecular Weight |
467.012
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H23ClN2O4S2/c1-21(2,3)28-20(25)23-13-14-24(30(26,27)15-9-5-4-6-10-15)19-18(22)16-11-7-8-12-17(16)29-19/h4-12H,13-14H2,1-3H3,(H,23,25)
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| InChIKey |
KIEROPUBFHNOSJ-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