General Information of the Compound
| Compound ID |
CP0428770
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| Compound Name |
(E)-3-[4-[2-(3-fluoro-4-methylphenyl)-6-hydroxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H24FNO3
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| Molecular Weight |
417.48
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| Canonical SMILES |
Cc1ccc(cc1F)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C26H24FNO3/c1-17-3-9-21(16-24(17)27)28-14-13-19-15-22(29)10-11-23(19)26(28,2)20-7-4-18(5-8-20)6-12-25(30)31/h3-12,15-16,29H,13-14H2,1-2H3,(H,30,31)/b12-6+
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| InChIKey |
DPOZIINKXXKYMY-WUXMJOGZSA-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