General Information of the Compound
| Compound ID |
CP0542882
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| Compound Name |
methyl 4-[1-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]triazol-4-yl]-2-(quinoline-2-carbonylamino)benzoate
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| Formula |
C38H34N6O5
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| Molecular Weight |
654.727
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| Canonical SMILES |
COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C38H34N6O5/c1-47-35-19-26-16-17-43(22-28(26)20-36(35)48-2)21-24-8-12-29(13-9-24)44-23-34(41-42-44)27-10-14-30(38(46)49-3)33(18-27)40-37(45)32-15-11-25-6-4-5-7-31(25)39-32/h4-15,18-20,23H,16-17,21-22H2,1-3H3,(H,40,45)
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| InChIKey |
FYCAGRIEHSHDTM-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