General Information of the Compound
| Compound ID |
CP0575203
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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]-4-imidazol-1-ylbenzamide
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| Formula |
C38H38N8O5
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| Molecular Weight |
686.773
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3ccc(cc3)-n3ccnc3)Cc2cc1OC
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| InChI |
InChI=1S/C38H38N8O5/c1-48-33-19-27-14-17-44(23-28(27)20-34(33)49-2)16-13-25-5-9-30(10-6-25)46-42-37(41-43-46)31-21-35(50-3)36(51-4)22-32(31)40-38(47)26-7-11-29(12-8-26)45-18-15-39-24-45/h5-12,15,18-22,24H,13-14,16-17,23H2,1-4H3,(H,40,47)
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| InChIKey |
DSUWWKJTWPTXFS-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