General Information of the Compound
| Compound ID |
CP0372234
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| Compound Name |
7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(R)-3-hydroxy-5-(4-trifluoromethyl-phenyl)-pentyl]-cyclopentyl}-heptanoic acid
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| Structure |
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| Formula |
C24H35F3O5
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| Molecular Weight |
460.533
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| Canonical SMILES |
O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H35F3O5/c25-24(26,27)17-10-7-16(8-11-17)9-12-18(28)13-14-20-19(21(29)15-22(20)30)5-3-1-2-4-6-23(31)32/h7-8,10-11,18-22,28-30H,1-6,9,12-15H2,(H,31,32)/t18-,19+,20+,21-,22+/m0/s1
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| InChIKey |
CLZNYVHQDWXKEA-AHJNKEMKSA-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