General Information of the Compound
| Compound ID |
CP0473127
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| Compound Name |
(E)-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-(4-oxo-2-phenylchromen-3-yl)prop-2-enamide
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| Structure |
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| Formula |
C37H34N2O5
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| Molecular Weight |
586.688
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4c(oc5ccccc5c4=O)-c4ccccc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C37H34N2O5/c1-42-33-22-27-19-21-39(24-28(27)23-34(33)43-2)20-18-25-12-14-29(15-13-25)38-35(40)17-16-31-36(41)30-10-6-7-11-32(30)44-37(31)26-8-4-3-5-9-26/h3-17,22-23H,18-21,24H2,1-2H3,(H,38,40)/b17-16+
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| InChIKey |
TXHJNUBOOAATIS-WUKNDPDISA-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