General Information of the Compound
| Compound ID |
CP0441424
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| Compound Name |
ethyl 4-[4-[5-(4-ethylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl-hydroxyamino]-4-oxobutanoate
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| Structure |
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| Formula |
C28H31N3O5
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| Molecular Weight |
489.572
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| Canonical SMILES |
CCOC(=O)CCC(=O)N(O)C(C)C#Cc1cc(-c2ccc(CC)cc2)n(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H31N3O5/c1-5-21-8-10-22(11-9-21)26-19-23(29-30(26)24-13-15-25(35-4)16-14-24)12-7-20(3)31(34)27(32)17-18-28(33)36-6-2/h8-11,13-16,19-20,34H,5-6,17-18H2,1-4H3
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| InChIKey |
IBHNUXSXSYSDKG-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