General Information of the Compound
| Compound ID |
CP0528940
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| Compound Name |
(Z)-3-fluoro-4-[4-[(4-methylsulfonylphenoxy)methyl]triazol-1-yl]but-2-en-1-amine;hydrochloride
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| Structure |
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| Formula |
C14H18ClFN4O3S
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| Molecular Weight |
376.841
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| Canonical SMILES |
Cl.CS(=O)(=O)c1ccc(OCc2cn(C\C(F)=C\CN)nn2)cc1
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| InChI |
InChI=1S/C14H17FN4O3S.ClH/c1-23(20,21)14-4-2-13(3-5-14)22-10-12-9-19(18-17-12)8-11(15)6-7-16;/h2-6,9H,7-8,10,16H2,1H3;1H/b11-6-;
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| InChIKey |
SUEYEFQLAVPZJE-AVHZNCSWSA-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