General Information of the Compound
| Compound ID |
CP0342437
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| Compound Name |
2-[2-(2,4-dimethylanilino)-2-keto-ethyl]cinchoninic acid
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| Structure |
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| Formula |
C20H18N2O3
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| Molecular Weight |
334.375
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| Canonical SMILES |
Cc1ccc(NC(=O)Cc2cc(C(O)=O)c3ccccc3n2)c(C)c1
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| InChI |
InChI=1S/C20H18N2O3/c1-12-7-8-17(13(2)9-12)22-19(23)11-14-10-16(20(24)25)15-5-3-4-6-18(15)21-14/h3-10H,11H2,1-2H3,(H,22,23)(H,24,25)
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| InChIKey |
ZACFHUXCBGBLQB-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: PT06172, Mothers against decapentaplegic homolog 3