General Information of the Compound
| Compound ID |
CP0497948
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-phenoxyacetamide
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| Structure |
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| Formula |
C27H30N2O4
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| Molecular Weight |
446.547
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)COc4ccccc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C27H30N2O4/c1-31-25-16-21-13-15-29(18-22(21)17-26(25)32-2)14-12-20-8-10-23(11-9-20)28-27(30)19-33-24-6-4-3-5-7-24/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,28,30)
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| InChIKey |
GBYDFXOHYQLWKK-UHFFFAOYSA-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