General Information of the Compound
| Compound ID |
CP0497947
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C27H28N2O5
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| Molecular Weight |
460.53
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)c4ccc5OCOc5c4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C27H28N2O5/c1-31-24-13-19-10-12-29(16-21(19)15-25(24)32-2)11-9-18-3-6-22(7-4-18)28-27(30)20-5-8-23-26(14-20)34-17-33-23/h3-8,13-15H,9-12,16-17H2,1-2H3,(H,28,30)
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| InChIKey |
QNSFKMNBRGMLDG-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