General Information of the Compound
| Compound ID |
CP0373441
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| Compound Name |
2-(3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-5-(2,3,5-trifluorophenyl)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C23H18F4N4O4
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| Molecular Weight |
490.413
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| Canonical SMILES |
OC(=O)C1=C(CCC(C1)c1cc(F)cc(F)c1F)NC(=O)CCc1nc(no1)-c1ccc(F)cn1
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| InChI |
InChI=1S/C23H18F4N4O4/c24-12-2-4-18(28-10-12)22-30-20(35-31-22)6-5-19(32)29-17-3-1-11(7-15(17)23(33)34)14-8-13(25)9-16(26)21(14)27/h2,4,8-11H,1,3,5-7H2,(H,29,32)(H,33,34)
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| InChIKey |
DTHHTBOBQCINEW-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