General Information of the Compound
| Compound ID |
CP0492348
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| Compound Name |
N-[1-(4-cyanophenyl)-3-methyl-1-oxobutan-2-yl]-1-methylindole-2-carboxamide
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
CC(C)C(NC(=O)c1cc2ccccc2n1C)C(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H21N3O2/c1-14(2)20(21(26)16-10-8-15(13-23)9-11-16)24-22(27)19-12-17-6-4-5-7-18(17)25(19)3/h4-12,14,20H,1-3H3,(H,24,27)
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| InChIKey |
VPUPKQJXPYSPGR-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