General Information of the Compound
| Compound ID |
CP0243062
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| Compound Name |
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C15H21ClFN5O2S
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| Molecular Weight |
389.884
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| Canonical SMILES |
Cl.CN(C)S(=O)(=O)c1ccc(Cc2cn(C\C(F)=C\CN)nn2)cc1
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| InChI |
InChI=1S/C15H20FN5O2S.ClH/c1-20(2)24(22,23)15-5-3-12(4-6-15)9-14-11-21(19-18-14)10-13(16)7-8-17;/h3-7,11H,8-10,17H2,1-2H3;1H/b13-7-;
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| InChIKey |
BUWOYLMMLYDJLI-QCCGTXRUSA-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