General Information of the Compound
| Compound ID |
CP0412837
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| Compound Name |
N-[5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2-methylphenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C30H29N3O4
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| Molecular Weight |
495.579
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| Canonical SMILES |
COc1cc2CCN(CC(=O)c3ccc(C)c(NC(=O)c4ccc5ccccc5n4)c3)Cc2cc1OC
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| InChI |
InChI=1S/C30H29N3O4/c1-19-8-9-22(14-26(19)32-30(35)25-11-10-20-6-4-5-7-24(20)31-25)27(34)18-33-13-12-21-15-28(36-2)29(37-3)16-23(21)17-33/h4-11,14-16H,12-13,17-18H2,1-3H3,(H,32,35)
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| InChIKey |
JZRJIKWGWWXIOC-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