General Information of the Compound
| Compound ID |
CP0557394
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| Compound Name |
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzamide;hydrochloride
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| Structure |
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| Formula |
C16H21ClFN5O2
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| Molecular Weight |
369.828
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| Canonical SMILES |
Cl.CN(C)C(=O)c1ccc(OCc2cn(C\C(F)=C\CN)nn2)cc1
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| InChI |
InChI=1S/C16H20FN5O2.ClH/c1-21(2)16(23)12-3-5-15(6-4-12)24-11-14-10-22(20-19-14)9-13(17)7-8-18;/h3-7,10H,8-9,11,18H2,1-2H3;1H/b13-7-;
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| InChIKey |
NJROUZHHCFLWCX-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