General Information of the Compound
| Compound ID |
CP0330770
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| Compound Name |
4-[3-(2,4-dimethylanilino)-2-[(2,4-dimethylanilino)-oxomethyl]-3-oxoprop-1-enyl]benzoic acid
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| Structure |
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| Formula |
C27H26N2O4
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| Molecular Weight |
442.515
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| Canonical SMILES |
Cc1ccc(NC(=O)C(=Cc2ccc(cc2)C(O)=O)C(=O)Nc2ccc(C)cc2C)c(C)c1
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| InChI |
InChI=1S/C27H26N2O4/c1-16-5-11-23(18(3)13-16)28-25(30)22(15-20-7-9-21(10-8-20)27(32)33)26(31)29-24-12-6-17(2)14-19(24)4/h5-15H,1-4H3,(H,28,30)(H,29,31)(H,32,33)
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| InChIKey |
QZOHMGLHJDZRBE-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2