General Information of the Compound
| Compound ID |
CP0254125
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| Compound Name |
(E)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyleneamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
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| Formula |
C23H28N2O3
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| Molecular Weight |
380.488
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(O)c2c1
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| InChI |
InChI=1S/C23H28N2O3/c1-27-22-11-17-9-10-25(14-18(17)12-23(22)28-2)15-24-19-8-7-16-5-3-4-6-21(26)20(16)13-19/h7-8,11-13,15,21,26H,3-6,9-10,14H2,1-2H3/b24-15+
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| InChIKey |
LPLBLTITXDCEAW-BUVRLJJBSA-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