General Information of the Compound
| Compound ID |
CP0554925
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| Compound Name |
(S)-methyl 6-(2-(6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl)oxazol-5-yl)picolinate
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| Structure |
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| Formula |
C27H22N2O4
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| Molecular Weight |
438.483
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| Canonical SMILES |
COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)[C@H]1CCc2cc(ccc2C1)-c1ccccc1
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| InChI |
InChI=1S/C27H22N2O4/c1-32-27(31)23-9-5-8-22(29-23)24-16-28-26(33-24)25(30)21-13-12-19-14-18(10-11-20(19)15-21)17-6-3-2-4-7-17/h2-11,14,16,21H,12-13,15H2,1H3/t21-/m0/s1
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| InChIKey |
XCJYQTBTCKPUDK-NRFANRHFSA-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