General Information of the Compound
| Compound ID |
CP0488948
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| Compound Name |
methyl 4-[1-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]triazol-4-yl]-2-(quinoline-2-carbonylamino)benzoate
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| Formula |
C37H32N6O3
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| Molecular Weight |
608.702
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| Canonical SMILES |
COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3ccccc3C2)cc1
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| InChI |
InChI=1S/C37H32N6O3/c1-46-37(45)31-16-12-28(22-34(31)39-36(44)33-17-13-27-7-4-5-9-32(27)38-33)35-24-43(41-40-35)30-14-10-25(11-15-30)18-20-42-21-19-26-6-2-3-8-29(26)23-42/h2-17,22,24H,18-21,23H2,1H3,(H,39,44)
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| InChIKey |
KFFZECZGHUCQAD-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