General Information of the Compound
| Compound ID |
CP0863098
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| Compound Name |
2-(3-(((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(3-(hydroxy(1-propylcyclobutyl)methyl)phenyl)cyclopentyl)methyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C28H35ClO5
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| Molecular Weight |
487.036
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| Canonical SMILES |
CCCC1(C(O)c2cccc([C@@H]3[C@@H](Cc4cccc(OCC(=O)O)c4)[C@H](Cl)C[C@H]3O)c2)CCC1
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| InChI |
InChI=1S/C28H35ClO5/c1-2-10-28(11-5-12-28)27(33)20-8-4-7-19(15-20)26-22(23(29)16-24(26)30)14-18-6-3-9-21(13-18)34-17-25(31)32/h3-4,6-9,13,15,22-24,26-27,30,33H,2,5,10-12,14,16-17H2,1H3,(H,31,32)/t22-,23+,24+,26+,27?/m0/s1
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| InChIKey |
LFURQAOXCGLIRL-SHZFADNXSA-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