General Information of the Compound
| Compound ID |
CP0444035
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| Compound Name |
(E)-3-[4-(6-hydroxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H21NO3
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| Molecular Weight |
371.436
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
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| InChI |
InChI=1S/C24H21NO3/c26-21-11-12-22-19(16-21)14-15-25(20-4-2-1-3-5-20)24(22)18-9-6-17(7-10-18)8-13-23(27)28/h1-13,16,24,26H,14-15H2,(H,27,28)/b13-8+
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| InChIKey |
IBGXNNAJYUSZHN-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