General Information of the Compound
| Compound ID |
CP0514029
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| Compound Name |
(R)-methyl 2-(6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)oxazole-5-carboxylate
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| Structure |
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| Formula |
C22H19NO5
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| Molecular Weight |
377.396
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| Canonical SMILES |
COC(=O)c1cnc(o1)C(=O)[C@@H]1CCc2cc(Oc3ccccc3)ccc2C1
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| InChI |
InChI=1S/C22H19NO5/c1-26-22(25)19-13-23-21(28-19)20(24)16-8-7-15-12-18(10-9-14(15)11-16)27-17-5-3-2-4-6-17/h2-6,9-10,12-13,16H,7-8,11H2,1H3/t16-/m1/s1
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| InChIKey |
XRAQVGGXXBBGQA-MRXNPFEDSA-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