General Information of the Compound
| Compound ID |
CP0508371
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| Compound Name |
(E)-3-[4-[6-hydroxy-1-methyl-2-(4-methylphenyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H25NO3
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| Molecular Weight |
399.49
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| Canonical SMILES |
Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C26H25NO3/c1-18-3-10-22(11-4-18)27-16-15-20-17-23(28)12-13-24(20)26(27,2)21-8-5-19(6-9-21)7-14-25(29)30/h3-14,17,28H,15-16H2,1-2H3,(H,29,30)/b14-7+
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| InChIKey |
VNCUOVJKXRLLAU-VGOFMYFVSA-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