General Information of the Compound
| Compound ID |
CP0071776
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| Compound Name |
(3R,4S)-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H28N4O4
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| Molecular Weight |
484.556
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ncccn2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C28H28N4O4/c1-19-25(31-26(36-19)21-6-3-2-4-7-21)12-15-35-23-10-8-20(9-11-23)16-22-17-32(18-24(22)27(33)34)28-29-13-5-14-30-28/h2-11,13-14,22,24H,12,15-18H2,1H3,(H,33,34)/t22-,24+/m1/s1
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| InChIKey |
MMLIZQDMIATIMF-VWNXMTODSA-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