General Information of the Compound
| Compound ID |
CP0059598
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| Compound Name |
2-((2-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyrimidin-5-yl)methyl)-tetrahydrofuran-2-carboxylic acid
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| Structure |
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| Formula |
C22H23N3O5
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| Molecular Weight |
409.442
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| Canonical SMILES |
Cc1oc(nc1CCOc1ncc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
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| InChI |
InChI=1S/C22H23N3O5/c1-15-18(25-19(30-15)17-6-3-2-4-7-17)8-11-28-21-23-13-16(14-24-21)12-22(20(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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| InChIKey |
KGTUYJFJDIORDD-UHFFFAOYSA-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