General Information of the Compound
| Compound ID |
CP0448666
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| Compound Name |
(E)-3-[4-[6-hydroxy-1-methyl-2-(6-propan-2-ylpyridin-3-yl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
CC(C)c1ccc(cn1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C27H28N2O3/c1-18(2)25-12-9-22(17-28-25)29-15-14-20-16-23(30)10-11-24(20)27(29,3)21-7-4-19(5-8-21)6-13-26(31)32/h4-13,16-18,30H,14-15H2,1-3H3,(H,31,32)/b13-6+
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| InChIKey |
XYYPAELCIOFYJI-AWNIVKPZSA-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