General Information of the Compound
| Compound ID |
CP0386922
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| Compound Name |
4-[(2,6-dibromo-4-methyl-phenoxy)methyl]-N'-[(Z)-pyrrol-2-ylidenemethyl]benzohydrazide
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| Structure |
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| Formula |
C20H17Br2N3O2
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| Molecular Weight |
491.183
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| Canonical SMILES |
Cc1cc(Br)c(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)c(Br)c1
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| InChI |
InChI=1S/C20H17Br2N3O2/c1-13-9-17(21)19(18(22)10-13)27-12-14-4-6-15(7-5-14)20(26)25-24-11-16-3-2-8-23-16/h2-11,23H,12H2,1H3,(H,25,26)/b24-11+
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| InChIKey |
OKCDKESLNZVCFU-BHGWPJFGSA-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: PT06124, Paired box protein Pax-8