General Information of the Compound
| Compound ID |
CP0374249
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| Compound Name |
(4S,5R)-2-(3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-4-methyl-5-(2,3,5-trifluorophenyl)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C24H20F4N4O4
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| Molecular Weight |
504.44
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| Canonical SMILES |
C[C@H]1CC(NC(=O)CCc2nc(no2)-c2ccc(F)cn2)=C(C[C@H]1c1cc(F)cc(F)c1F)C(O)=O
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| InChI |
InChI=1S/C24H20F4N4O4/c1-11-6-19(16(24(34)35)9-14(11)15-7-13(26)8-17(27)22(15)28)30-20(33)4-5-21-31-23(32-36-21)18-3-2-12(25)10-29-18/h2-3,7-8,10-11,14H,4-6,9H2,1H3,(H,30,33)(H,34,35)/t11-,14+/m0/s1
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| InChIKey |
ZZCJGLUZCDJRRY-SMDDNHRTSA-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