General Information of the Compound
| Compound ID |
CP0432451
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| Compound Name |
N-[1-(4-cyanophenyl)-3-methyl-1-oxobutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
CC(C)C(NC(=O)N1CCc2ccccc2C1)C(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H23N3O2/c1-15(2)20(21(26)18-9-7-16(13-23)8-10-18)24-22(27)25-12-11-17-5-3-4-6-19(17)14-25/h3-10,15,20H,11-12,14H2,1-2H3,(H,24,27)
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| InChIKey |
ICZZSPAOWPLMSA-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