General Information of the Compound
| Compound ID |
CP0447302
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| Compound Name |
(E)-3-[4-(6-hydroxy-1-methyl-2-phenyl-3,4-dihydroisoquinolin-1-yl)phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H23NO3
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| Molecular Weight |
385.463
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| Canonical SMILES |
CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C25H23NO3/c1-25(20-10-7-18(8-11-20)9-14-24(28)29)23-13-12-22(27)17-19(23)15-16-26(25)21-5-3-2-4-6-21/h2-14,17,27H,15-16H2,1H3,(H,28,29)/b14-9+
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| InChIKey |
DWSIEQFRDKUDIW-NTEUORMPSA-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