General Information of the Compound
| Compound ID |
CP0311748
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| Compound Name |
2-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole
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| Structure |
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| Formula |
C26H34N2O3
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| Molecular Weight |
422.569
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| Canonical SMILES |
COc1cc2CCN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)Cc2cc1OC
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| InChI |
InChI=1S/C26H34N2O3/c1-29-24-6-4-5-21-22(24)8-7-19-15-28(17-23(19)21)12-11-27-10-9-18-13-25(30-2)26(31-3)14-20(18)16-27/h4-6,13-14,19,23H,7-12,15-17H2,1-3H3/t19-,23+/m0/s1
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| InChIKey |
WKPITOGUWYLINO-WMZHIEFXSA-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