General Information of the Compound
| Compound ID |
CP0508605
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| Compound Name |
(S)-methyl 6-(2-(6-(benzyloxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl)oxazol-5-yl)picolinate
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| Structure |
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| Formula |
C28H24N2O5
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| Molecular Weight |
468.509
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| Canonical SMILES |
COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)[C@H]1CCc2cc(OCc3ccccc3)ccc2C1
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| InChI |
InChI=1S/C28H24N2O5/c1-33-28(32)24-9-5-8-23(30-24)25-16-29-27(35-25)26(31)21-11-10-20-15-22(13-12-19(20)14-21)34-17-18-6-3-2-4-7-18/h2-9,12-13,15-16,21H,10-11,14,17H2,1H3/t21-/m0/s1
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| InChIKey |
JIAUKJPVCPDMBB-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