General Information of the Compound
| Compound ID |
CP0417554
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| Compound Name |
2-cyclohexyl-3-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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| Structure |
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| Formula |
C29H31N3O3
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| Molecular Weight |
469.585
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| Canonical SMILES |
COc1ccc(cc1)C1C(C(=O)Nc2cccc(C)n2)c2ccccc2C(=O)N1C1CCCCC1
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| InChI |
InChI=1S/C29H31N3O3/c1-19-9-8-14-25(30-19)31-28(33)26-23-12-6-7-13-24(23)29(34)32(21-10-4-3-5-11-21)27(26)20-15-17-22(35-2)18-16-20/h6-9,12-18,21,26-27H,3-5,10-11H2,1-2H3,(H,30,31,33)
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| InChIKey |
JENKZPZRFLLTTE-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