General Information of the Compound
| Compound ID |
CP0551411
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| Compound Name |
N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide
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| Formula |
C41H38N8O7
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| Molecular Weight |
754.804
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4cc(ccc4o3)-n3ccnc3)Cc2cc1OC
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| InChI |
InChI=1S/C41H38N8O7/c1-52-35-17-26-12-15-47(23-27(26)18-36(35)53-2)14-11-25-5-7-28(8-6-25)49-45-40(44-46-49)30-20-37(54-3)38(55-4)21-32(30)43-41(51)39-22-33(50)31-19-29(9-10-34(31)56-39)48-16-13-42-24-48/h5-10,13,16-22,24H,11-12,14-15,23H2,1-4H3,(H,43,51)
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| InChIKey |
POILDAQOHMNGEW-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