General Information of the Compound
| Compound ID |
CP0445767
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| Compound Name |
(Z)-3-fluoro-4-[4-(phenoxymethyl)triazol-1-yl]but-2-en-1-amine;hydrochloride
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| Structure |
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| Formula |
C13H16ClFN4O
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| Molecular Weight |
298.749
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| Canonical SMILES |
Cl.NC\C=C(/F)Cn1cc(COc2ccccc2)nn1
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| InChI |
InChI=1S/C13H15FN4O.ClH/c14-11(6-7-15)8-18-9-12(16-17-18)10-19-13-4-2-1-3-5-13;/h1-6,9H,7-8,10,15H2;1H/b11-6-;
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| InChIKey |
LMWHSMJHTIAJFX-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