General Information of the Compound
| Compound ID |
CP0294084
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| Compound Name |
2-((S)-2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-5-methylcyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C18H21N5O5
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| Molecular Weight |
387.396
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| Canonical SMILES |
CC1CCC(NC(=O)[C@@H](N)Cc2nc(no2)-c2ccc(O)cn2)=C(C1)C(O)=O
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| InChI |
InChI=1S/C18H21N5O5/c1-9-2-4-13(11(6-9)18(26)27)21-17(25)12(19)7-15-22-16(23-28-15)14-5-3-10(24)8-20-14/h3,5,8-9,12,24H,2,4,6-7,19H2,1H3,(H,21,25)(H,26,27)/t9?,12-/m0/s1
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| InChIKey |
VCTNNWHIGASZOC-ACGXKRRESA-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