General Information of the Compound
| Compound ID |
CP0062042
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| Compound Name |
5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-(2-pyridin-2-yl-ethyl)-benzamide
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| Structure |
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| Formula |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCc2ccccn2)c1
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| InChI |
InChI=1S/C21H21N3O4/c25-17-5-7-19(26)14(11-17)13-24-16-4-6-20(27)18(12-16)21(28)23-10-8-15-3-1-2-9-22-15/h1-7,9,11-12,24-27H,8,10,13H2,(H,23,28)
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| InChIKey |
HDBUXOHSMWIMJN-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: PT01605, Epidermal growth factor receptor
Cell Viability or Cytotoxicity Assay