General Information of the Compound
| Compound ID |
CP0497580
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| Compound Name |
7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((R)-3-hydroxy-4,4-dimethyl-octyl)-cyclopentyl]-heptanoic acid
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| Structure |
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| Formula |
C22H42O5
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| Molecular Weight |
386.573
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| Canonical SMILES |
CCCCC(C)(C)[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
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| InChI |
InChI=1S/C22H42O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h16-20,23-25H,4-15H2,1-3H3,(H,26,27)/t16-,17-,18+,19-,20-/m1/s1
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| InChIKey |
NWYKVXPSSKITNL-OUUBHVDSSA-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