General Information of the Compound
| Compound ID |
CP0372737
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| Compound Name |
7-[3,5-Dihydroxy-2-(3-hydroxy-4-m-tolylsulfanyl-butyl)-cyclopentyl]-heptanoic acid
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| Structure |
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| Formula |
C23H36O5S
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| Molecular Weight |
424.603
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| Canonical SMILES |
Cc1cccc(SCC(O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(O)=O)c1
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| InChI |
InChI=1S/C23H36O5S/c1-16-7-6-8-18(13-16)29-15-17(24)11-12-20-19(21(25)14-22(20)26)9-4-2-3-5-10-23(27)28/h6-8,13,17,19-22,24-26H,2-5,9-12,14-15H2,1H3,(H,27,28)/t17?,19-,20-,21+,22-/m1/s1
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| InChIKey |
JQFLCIIQNZIBOE-ONFJWMFVSA-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