General Information of the Compound
| Compound ID |
CP0480653
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| Compound Name |
ethyl 4-[hydroxy-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]amino]-4-oxobutanoate
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| Structure |
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| Formula |
C27H29N3O5
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| Molecular Weight |
475.545
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| Canonical SMILES |
CCOC(=O)CCC(=O)N(O)C(C)C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H29N3O5/c1-5-35-27(32)17-16-26(31)30(33)20(3)8-11-22-18-25(21-9-6-19(2)7-10-21)29(28-22)23-12-14-24(34-4)15-13-23/h6-7,9-10,12-15,18,20,33H,5,16-17H2,1-4H3
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| InChIKey |
CVGOKAWWDAOMPM-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