General Information of the Compound
| Compound ID |
CP0339046
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| Compound Name |
6,7-Dimethoxy-2-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-3,4-dihydro-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C26H32N2O4
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| Molecular Weight |
436.552
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| Canonical SMILES |
COc1cc2CCN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)C(=O)c2cc1OC
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| InChI |
InChI=1S/C26H32N2O4/c1-30-23-6-4-5-19-20(23)8-7-18-15-27(16-22(18)19)11-12-28-10-9-17-13-24(31-2)25(32-3)14-21(17)26(28)29/h4-6,13-14,18,22H,7-12,15-16H2,1-3H3/t18-,22+/m0/s1
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| InChIKey |
AVJFJYZQNQJPAE-PGRDOPGGSA-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