General Information of the Compound
| Compound ID |
CP0488874
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| Compound Name |
N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C16H17N3O
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| Molecular Weight |
267.332
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc(cc1)-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C16H17N3O/c1-11(2)16(20)18-13-6-4-12(5-7-13)15-9-8-14(10-17)19(15)3/h4-9,11H,1-3H3,(H,18,20)
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| InChIKey |
GKDVKPGBVTYGCC-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