General Information of the Compound
| Compound ID |
CP0402541
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| Compound Name |
7-{(1R,2R,3R,5S)-2-[(R)-4-(3-Chloro-phenoxy)-3-hydroxy-butyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid
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| Synonyms |
13,14-Dihydro-16-m-Chlorophenoxy-Omega-Tetranor PGF-1alpha
13,14-dihydro-16-m-chlorophenoxy-w-tetranor-PGF1alpha
7-[(1R)-2beta-[(3R)-3-Hydroxy-4-(3-chlorophenoxy)butyl]-3alpha,5alpha-dihydroxycyclopentane-1alpha-yl]heptanoic acid
7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybutyl]-3,5-dihydroxycyclopentyl]heptanoic acid
7-{2-[4-(3-Chloro-phenoxy)-3-hydroxy-butyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid
AC1NSKAB
BDBM50085911
CHEMBL36041
GTPL1955
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| Structure |
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| Formula |
C22H33ClO6
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| Molecular Weight |
428.953
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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)COc1cccc(Cl)c1
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| InChI |
InChI=1S/C22H33ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h5-7,12,16,18-21,24-26H,1-4,8-11,13-14H2,(H,27,28)/t16-,18-,19-,20+,21-/m1/s1
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| InChIKey |
XECZBZWECQIBDA-LELZANKISA-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
Protein ID: PT02279, Prostacyclin receptor
Protein ID: PT01054, Prostaglandin D2 receptor
Protein ID: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT01823, Prostaglandin F2-alpha receptor
Protein ID: PT01819, Thromboxane A2 receptor
Clinical Information about the Compound