General Information of the Compound
| Compound ID |
CP0520852
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| Compound Name |
1-(3-hydroxypropyl)-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 |
C18H19N5O6
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| Molecular Weight |
401.379
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| Canonical SMILES |
OCCCn1cc(NC(=O)CCc2nc(no2)-c2ccc(O)cn2)c(c1)C(O)=O
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| InChI |
InChI=1S/C18H19N5O6/c24-7-1-6-23-9-12(18(27)28)14(10-23)20-15(26)4-5-16-21-17(22-29-16)13-3-2-11(25)8-19-13/h2-3,8-10,24-25H,1,4-7H2,(H,20,26)(H,27,28)
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| InChIKey |
CDGJWLTZWDWALB-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