General Information of the Compound
| Compound ID |
CP0261686
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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-yl acetate
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| Formula |
C25H30N2O4
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| Molecular Weight |
422.525
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(OC(C)=O)c2c1
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| InChI |
InChI=1S/C25H30N2O4/c1-17(28)31-23-7-5-4-6-18-8-9-21(14-22(18)23)26-16-27-11-10-19-12-24(29-2)25(30-3)13-20(19)15-27/h8-9,12-14,16,23H,4-7,10-11,15H2,1-3H3/b26-16+
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| InChIKey |
NPYZSFJJFCSMMV-WGOQTCKBSA-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