General Information of the Compound
| Compound ID |
CP0557693
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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]-5-methoxy-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C39H38N6O8
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| Molecular Weight |
718.767
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4c(OC)cccc4o3)Cc2cc1OC
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| InChI |
InChI=1S/C39H38N6O8/c1-48-30-7-6-8-31-37(30)29(46)21-36(53-31)39(47)40-28-20-35(52-5)34(51-4)19-27(28)38-41-43-45(42-38)26-11-9-23(10-12-26)13-15-44-16-14-24-17-32(49-2)33(50-3)18-25(24)22-44/h6-12,17-21H,13-16,22H2,1-5H3,(H,40,47)
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| InChIKey |
XYLWMOIQRWOPOJ-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