General Information of the Compound
| Compound ID |
CP0374254
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| Compound Name |
2-(2-amino-3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C17H18FN5O4
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| Molecular Weight |
375.36
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| Canonical SMILES |
NC(Cc1nc(no1)-c1ccc(F)cn1)C(=O)NC1=C(CCCC1)C(O)=O
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| InChI |
InChI=1S/C17H18FN5O4/c18-9-5-6-13(20-8-9)15-22-14(27-23-15)7-11(19)16(24)21-12-4-2-1-3-10(12)17(25)26/h5-6,8,11H,1-4,7,19H2,(H,21,24)(H,25,26)
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| InChIKey |
NSPAGVQXOOURKI-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