General Information of the Compound
| Compound ID |
CP0409741
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| Compound Name |
2-[(2R,4aR,5R,6R,7aS)-6-hydroxy-5-(5-phenoxypentyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C23H29NO5S
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| Molecular Weight |
431.554
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| Canonical SMILES |
O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1CCCCCOc1ccccc1)c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C23H29NO5S/c25-19-13-21-17(10-11-20(29-21)22-24-18(14-30-22)23(26)27)16(19)9-5-2-6-12-28-15-7-3-1-4-8-15/h1,3-4,7-8,14,16-17,19-21,25H,2,5-6,9-13H2,(H,26,27)/t16-,17-,19-,20-,21+/m1/s1
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| InChIKey |
ITJGRSUVRVMJDN-FLTCSQOGSA-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