General Information of the Compound
| Compound ID |
CP0215801
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| Compound Name |
1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone
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| Structure |
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| Formula |
C27H29NO3
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| Molecular Weight |
415.533
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| Canonical SMILES |
COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(C)=O
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| InChI |
InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-26(30-2)27(31-3)18-24(22)25(28)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,18,23,25H,14-15,17H2,1-3H3
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| InChIKey |
MYRDIKPCKNULKX-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