General Information of the Compound
| Compound ID |
CP0490787
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| Compound Name |
5-(6-fluoropyridin-3-yl)-2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C22H20FN5O5
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| Molecular Weight |
453.43
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| Canonical SMILES |
OC(=O)C1=C(CCC(C1)c1ccc(F)nc1)NC(=O)CCc1nc(no1)-c1ccc(O)cn1
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| InChI |
InChI=1S/C22H20FN5O5/c23-18-6-2-13(10-25-18)12-1-4-16(15(9-12)22(31)32)26-19(30)7-8-20-27-21(28-33-20)17-5-3-14(29)11-24-17/h2-3,5-6,10-12,29H,1,4,7-9H2,(H,26,30)(H,31,32)
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| InChIKey |
SCKBCMJBTSDLKX-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