General Information of the Compound
| Compound ID |
CP0558082
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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]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C39H38N6O5
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| Molecular Weight |
670.77
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3ccc4ccccc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C39H38N6O5/c1-47-34-20-28-16-18-44(24-30(28)21-35(34)48-2)17-15-25-9-13-31(14-10-25)45-42-38(41-43-45)32-22-36(49-3)37(50-4)23-33(32)40-39(46)29-12-11-26-7-5-6-8-27(26)19-29/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,46)
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| InChIKey |
MTBQAJFVSRHWHW-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