General Information of the Compound
| Compound ID |
CP0164310
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| Compound Name |
2-((2S)-2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)butanamido)benzoic acid
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| Structure |
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| Formula |
C18H17N5O5
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| Molecular Weight |
383.364
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| Canonical SMILES |
CC([C@H](N)C(=O)Nc1ccccc1C(O)=O)c1nc(no1)-c1ccc(O)cn1
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| InChI |
InChI=1S/C18H17N5O5/c1-9(17-22-15(23-28-17)13-7-6-10(24)8-20-13)14(19)16(25)21-12-5-3-2-4-11(12)18(26)27/h2-9,14,24H,19H2,1H3,(H,21,25)(H,26,27)/t9?,14-/m0/s1
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| InChIKey |
MGLMSEUXSHEFGP-RJSPSEDBSA-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