General Information of the Compound
| Compound ID |
CP0126661
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| Compound Name |
(3R,4S)-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C29H30N4O4
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| Molecular Weight |
498.583
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(C)n2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C29H30N4O4/c1-19-12-14-30-29(31-19)33-17-23(25(18-33)28(34)35)16-21-8-10-24(11-9-21)36-15-13-26-20(2)37-27(32-26)22-6-4-3-5-7-22/h3-12,14,23,25H,13,15-18H2,1-2H3,(H,34,35)/t23-,25+/m1/s1
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| InChIKey |
HUAMACBYFQRBSO-NOZRDPDXSA-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