General Information of the Compound
| Compound ID |
CP0870435
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| Compound Name |
7-((1R,2S)-2-(3-((R)-hydroxy(1-propylcyclobutyl)methyl)phenyl)-5-oxocyclopentyl)hept-5-enoic acid
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| Structure |
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| Formula |
C26H36O4
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| Molecular Weight |
412.57
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| Canonical SMILES |
CCCC1([C@@H](O)c2cccc([C@H]3CCC(=O)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1
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| InChI |
InChI=1S/C26H36O4/c1-2-15-26(16-8-17-26)25(30)20-10-7-9-19(18-20)21-13-14-23(27)22(21)11-5-3-4-6-12-24(28)29/h3,5,7,9-10,18,21-22,25,30H,2,4,6,8,11-17H2,1H3,(H,28,29)/b5-3-/t21-,22-,25+/m1/s1
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| InChIKey |
RZBTWORZBVBXMU-TUHXMILOSA-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype