General Information of the Compound
| Compound ID |
CP0132018
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| Compound Name |
US10568884, Cpd 30
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| Structure |
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| Formula |
C17H18ClFN6O2S
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| Molecular Weight |
424.889
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| Canonical SMILES |
CC(C)n1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(N)n1
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| InChI |
InChI=1S/C17H18ClFN6O2S/c1-9(2)25-8-12(13-4-5-21-17(20)22-13)16(23-25)11-6-10(18)7-14(15(11)19)24-28(3,26)27/h4-9,24H,1-3H3,(H2,20,21,22)
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| InChIKey |
XRCYSJXOEWSFPE-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