General Information of the Compound
| Compound ID |
CP0304267
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| Compound Name |
2-keto-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester
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| Structure |
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| Formula |
C20H18N2O4
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| Molecular Weight |
350.374
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| Canonical SMILES |
Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1
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| InChI |
InChI=1S/C20H18N2O4/c1-13-11-17(14(2)22(13)15-7-4-3-5-8-15)18(23)12-26-20(25)16-9-6-10-21-19(16)24/h3-11H,12H2,1-2H3,(H,21,24)
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| InChIKey |
IAVYLTBOTILOCE-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: PT06109, Geminin
Protein ID: PT06101, Latent membrane protein 1