General Information of the Compound
| Compound ID |
CP0487697
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| Compound Name |
(4S,5R)-5-(3-fluorophenyl)-2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-4-methylcyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C24H23FN4O5
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| Molecular Weight |
466.469
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| Canonical SMILES |
C[C@H]1CC(NC(=O)CCc2nc(no2)-c2ccc(O)cn2)=C(C[C@H]1c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C24H23FN4O5/c1-13-9-20(18(24(32)33)11-17(13)14-3-2-4-15(25)10-14)27-21(31)7-8-22-28-23(29-34-22)19-6-5-16(30)12-26-19/h2-6,10,12-13,17,30H,7-9,11H2,1H3,(H,27,31)(H,32,33)/t13-,17+/m0/s1
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| InChIKey |
POYANXILALSKQJ-SUMWQHHRSA-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