General Information of the Compound
| Compound ID |
CP0474195
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| Compound Name |
(E)-3-[4-(2-benzyl-6-hydroxy-3,4-dihydro-1H-isoquinolin-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 |
OC(=O)\C=C\c1ccc(cc1)C1N(Cc2ccccc2)CCc2cc(O)ccc12
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| InChI |
InChI=1S/C25H23NO3/c27-22-11-12-23-21(16-22)14-15-26(17-19-4-2-1-3-5-19)25(23)20-9-6-18(7-10-20)8-13-24(28)29/h1-13,16,25,27H,14-15,17H2,(H,28,29)/b13-8+
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| InChIKey |
ULBLKFJJAZHJBO-MDWZMJQESA-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