General Information of the Compound
| Compound ID |
CP0523986
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| Compound Name |
ethyl 2-[hydroxy-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]amino]-2-oxoacetate
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| Structure |
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| Formula |
C25H25N3O5
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| Molecular Weight |
447.491
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| Canonical SMILES |
CCOC(=O)C(=O)N(O)C(C)C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C25H25N3O5/c1-5-33-25(30)24(29)28(31)18(3)8-11-20-16-23(19-9-6-17(2)7-10-19)27(26-20)21-12-14-22(32-4)15-13-21/h6-7,9-10,12-16,18,31H,5H2,1-4H3
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| InChIKey |
WZZZDJOZLZXXLP-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