General Information of the Compound
| Compound ID |
CP0866283
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| Compound Name |
7-((1R,2S,3R)-3-hydroxy-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-5-oxocyclopentyl)hept-5-enoic acid
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| Structure |
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| Formula |
C21H26O5
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| Molecular Weight |
358.434
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| Canonical SMILES |
O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CCC2O
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| InChI |
InChI=1S/C21H26O5/c22-17-10-8-13-11-14(7-9-15(13)17)21-16(18(23)12-19(21)24)5-3-1-2-4-6-20(25)26/h1,3,7,9,11,16-17,19,21-22,24H,2,4-6,8,10,12H2,(H,25,26)/b3-1-/t16-,17?,19+,21+/m0/s1
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| InChIKey |
KARPJTLGVFQYJV-MMJXDPMESA-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