General Information of the Compound
| Compound ID |
CP0499170
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| Compound Name |
(2S)-2-ethoxy-3-[4-[2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C22H25NO5S
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| Molecular Weight |
415.511
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| Canonical SMILES |
CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(C)s2)cc1)C(O)=O
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| InChI |
InChI=1S/C22H25NO5S/c1-4-26-19(22(24)25)13-16-6-8-17(9-7-16)27-12-11-18-15(3)28-21(23-18)20-10-5-14(2)29-20/h5-10,19H,4,11-13H2,1-3H3,(H,24,25)/t19-/m0/s1
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| InChIKey |
KACYCSASEXQENA-IBGZPJMESA-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