General Information of the Compound
| Compound ID |
CP0552768
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| Compound Name |
N-[2-[2-[4-[2-(6-imidazol-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
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| Formula |
C39H34N8O5
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| Molecular Weight |
694.752
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| Canonical SMILES |
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3cc(ccc3C2)-n2ccnc2)cc1
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| InChI |
InChI=1S/C39H34N8O5/c1-50-35-20-31(32(21-36(35)51-2)41-39(49)37-22-33(48)30-5-3-4-6-34(30)52-37)38-42-44-47(43-38)28-10-7-25(8-11-28)13-16-45-17-14-26-19-29(12-9-27(26)23-45)46-18-15-40-24-46/h3-12,15,18-22,24H,13-14,16-17,23H2,1-2H3,(H,41,49)
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| InChIKey |
NHXOEDKYWHRXHY-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