General Information of the Compound
| Compound ID |
CP0454249
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| Compound Name |
5-(3-fluorophenyl)-2-(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 |
C23H20F2N4O4
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| Molecular Weight |
454.433
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| Canonical SMILES |
OC(=O)C1=C(CCC(C1)c1cccc(F)c1)NC(=O)CCc1nc(no1)-c1ccc(F)cn1
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| InChI |
InChI=1S/C23H20F2N4O4/c24-15-3-1-2-13(10-15)14-4-6-18(17(11-14)23(31)32)27-20(30)8-9-21-28-22(29-33-21)19-7-5-16(25)12-26-19/h1-3,5,7,10,12,14H,4,6,8-9,11H2,(H,27,30)(H,31,32)
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| InChIKey |
ZODXLROJVMPXGA-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