General Information of the Compound
| Compound ID |
CP0568832
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| Compound Name |
1-butyl-4-[3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C19H21N5O5
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| Molecular Weight |
399.407
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| Canonical SMILES |
CCCCn1cc(NC(=O)CCc2nc(no2)-c2ccc(O)cn2)c(c1)C(O)=O
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| InChI |
InChI=1S/C19H21N5O5/c1-2-3-8-24-10-13(19(27)28)15(11-24)21-16(26)6-7-17-22-18(23-29-17)14-5-4-12(25)9-20-14/h4-5,9-11,25H,2-3,6-8H2,1H3,(H,21,26)(H,27,28)
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| InChIKey |
MGDQHMRJRICPJN-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