General Information of the Compound
| Compound ID |
CP0531670
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| Compound Name |
US9434711, 836
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| Structure |
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| Formula |
C19H21FN2O3S2
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| Molecular Weight |
408.52
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| Canonical SMILES |
CCS(=O)(=O)N(Cc1ccnc(F)c1)c1sc2ccccc2c1C(C)(C)O
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| InChI |
InChI=1S/C19H21FN2O3S2/c1-4-27(24,25)22(12-13-9-10-21-16(20)11-13)18-17(19(2,3)23)14-7-5-6-8-15(14)26-18/h5-11,23H,4,12H2,1-3H3
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| InChIKey |
JVVMVBQSFUYBBJ-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