General Information of the Compound
| Compound ID |
CP0507851
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| Compound Name |
(E)-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-phenylprop-2-enamide
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| Structure |
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| Formula |
C28H30N2O3
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| Molecular Weight |
442.559
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccccc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C28H30N2O3/c1-32-26-18-23-15-17-30(20-24(23)19-27(26)33-2)16-14-22-8-11-25(12-9-22)29-28(31)13-10-21-6-4-3-5-7-21/h3-13,18-19H,14-17,20H2,1-2H3,(H,29,31)/b13-10+
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| InChIKey |
KMEUCDRCYYFJRQ-JLHYYAGUSA-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