General Information of the Compound
| Compound ID |
CP0847319
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| Compound Name |
2-{(2R,4aR,5R,6R,7aS)-5-[(4-fluorophenoxy)methyl]-6-hydroxyoctahydrocyclopenta[b]pyran-2-yl}-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C19H20FNO5S
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| Molecular Weight |
393.436
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| Canonical SMILES |
O=C(O)c1csc([C@H]2CC[C@@H]3[C@@H](COc4ccc(F)cc4)[C@H](O)C[C@@H]3O2)n1
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| InChI |
InChI=1S/C19H20FNO5S/c20-10-1-3-11(4-2-10)25-8-13-12-5-6-16(26-17(12)7-15(13)22)18-21-14(9-27-18)19(23)24/h1-4,9,12-13,15-17,22H,5-8H2,(H,23,24)/t12-,13-,15-,16-,17+/m1/s1
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| InChIKey |
WFCYQWHQZSTHSD-HSMRXVHUSA-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