General Information of the Compound
| Compound ID |
CP0220511
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| Compound Name |
(S)-2-(2,5-Dimethyl-pyrrol-1-yl)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
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| Structure |
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| Formula |
C27H28N2O4
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| Molecular Weight |
444.531
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| Canonical SMILES |
Cc1ccc(C)n1[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C27H28N2O4/c1-18-9-10-19(2)29(18)25(27(30)31)17-21-11-13-23(14-12-21)32-16-15-24-20(3)33-26(28-24)22-7-5-4-6-8-22/h4-14,25H,15-17H2,1-3H3,(H,30,31)/t25-/m0/s1
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| InChIKey |
BZNSKKDWJQESLV-VWLOTQADSA-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