General Information of the Compound
| Compound ID |
CP0477372
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| Compound Name |
(E)-3-[4-[(E)-2-phenyl-1-(triazolo[1,5-a]pyridin-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H21N3O2
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| Molecular Weight |
395.462
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccn2nncc2c1)c1ccccc1
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| InChI |
InChI=1S/C25H21N3O2/c1-2-23(19-6-4-3-5-7-19)25(21-14-15-28-22(16-21)17-26-27-28)20-11-8-18(9-12-20)10-13-24(29)30/h3-17H,2H2,1H3,(H,29,30)/b13-10+,25-23+
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| InChIKey |
KIYAPEJXHLPCPO-PMYIIVIUSA-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