General Information of the Compound
| Compound ID |
CP0551850
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| Compound Name |
(1S,2R)-2-[[2-hydroxy-2-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]amino]cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C28H30N4O5
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| Molecular Weight |
502.571
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| Canonical SMILES |
CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@@H]1CCC[C@@H]1C(O)=O
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| InChI |
InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m0/s1
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| InChIKey |
IJBKIJSFUIRJKW-PDOMDSBESA-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