General Information of the Compound
| Compound ID |
CP0421301
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| Compound Name |
ethyl 1-(4-methylbenzoyl)indole-2-carboxylate
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| Structure |
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| Formula |
C19H17NO3
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| Molecular Weight |
307.349
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| Canonical SMILES |
CCOC(=O)c1cc2ccccc2n1C(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C19H17NO3/c1-3-23-19(22)17-12-15-6-4-5-7-16(15)20(17)18(21)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3
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| InChIKey |
FZEHZZNCMOVKFD-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2