General Information of the Compound
| Compound ID |
CP0417559
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| Compound Name |
methyl 4-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(quinoline-2-carbonylamino)benzoate
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| Structure |
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| Formula |
C37H35N3O5
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| Molecular Weight |
601.703
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| Canonical SMILES |
COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C37H35N3O5/c1-43-34-21-28-17-19-40(23-29(28)22-35(34)44-2)18-16-24-8-10-25(11-9-24)27-12-14-30(37(42)45-3)33(20-27)39-36(41)32-15-13-26-6-4-5-7-31(26)38-32/h4-15,20-22H,16-19,23H2,1-3H3,(H,39,41)
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| InChIKey |
KTDLKOVVFMBNMC-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