General Information of the Compound
| Compound ID |
CP0373443
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| Compound Name |
2-(3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-5-(6-fluoropyridin-3-yl)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C22H19F2N5O4
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| Molecular Weight |
455.421
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| Canonical SMILES |
OC(=O)C1=C(CCC(C1)c1ccc(F)nc1)NC(=O)CCc1nc(no1)-c1ccc(F)cn1
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| InChI |
InChI=1S/C22H19F2N5O4/c23-14-3-5-17(25-11-14)21-28-20(33-29-21)8-7-19(30)27-16-4-1-12(9-15(16)22(31)32)13-2-6-18(24)26-10-13/h2-3,5-6,10-12H,1,4,7-9H2,(H,27,30)(H,31,32)
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| InChIKey |
IYSUVAFFXBQGFQ-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