General Information of the Compound
| Compound ID |
CP0846863
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| Compound Name |
(4-bromo-2-{[(5-phenyl-1,2,4-triazin-3-yl)hydrazono]methyl}phenoxy)acetic acid
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| Structure |
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| Formula |
C18H14BrN5O3
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| Molecular Weight |
428.246
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| Canonical SMILES |
O=C(O)COc1ccc(Br)cc1/C=N/Nc1nncc(-c2ccccc2)n1
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| InChI |
InChI=1S/C18H14BrN5O3/c19-14-6-7-16(27-11-17(25)26)13(8-14)9-20-23-18-22-15(10-21-24-18)12-4-2-1-3-5-12/h1-10H,11H2,(H,25,26)(H,22,23,24)/b20-9+
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| InChIKey |
WVBVIRRWTMFJAK-AWQFTUOYSA-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