General Information of the Compound
| Compound ID |
CP0176763
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| Compound Name |
(E)-3-[3-[4-[(4-fluoroanilino)methyl]triazol-1-yl]-4-morpholin-4-ylphenyl]but-2-enoic acid
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| Structure |
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| Formula |
C23H24FN5O3
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| Molecular Weight |
437.475
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| Canonical SMILES |
C\C(=C/C(O)=O)c1ccc(N2CCOCC2)c(c1)-n1cc(CNc2ccc(F)cc2)nn1
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| InChI |
InChI=1S/C23H24FN5O3/c1-16(12-23(30)31)17-2-7-21(28-8-10-32-11-9-28)22(13-17)29-15-20(26-27-29)14-25-19-5-3-18(24)4-6-19/h2-7,12-13,15,25H,8-11,14H2,1H3,(H,30,31)/b16-12+
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| InChIKey |
PFUYIVGOMDDJDW-FOWTUZBSSA-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