General Information of the Compound
| Compound ID |
CP0852841
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| Compound Name |
methyl 7-((1R,2S,3R)-3-hydroxy-2-(3-(hydroxy(1-propylcyclobutyl)methyl)phenyl)-5-oxocyclopentyl)heptanoate
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| Structure |
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| Formula |
C27H40O5
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| Molecular Weight |
444.612
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| Canonical SMILES |
CCCC1(C(O)c2cccc([C@H]3[C@H](O)CC(=O)[C@@H]3CCCCCCC(=O)OC)c2)CCC1
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| InChI |
InChI=1S/C27H40O5/c1-3-14-27(15-9-16-27)26(31)20-11-8-10-19(17-20)25-21(22(28)18-23(25)29)12-6-4-5-7-13-24(30)32-2/h8,10-11,17,21,23,25-26,29,31H,3-7,9,12-16,18H2,1-2H3/t21-,23+,25+,26?/m0/s1
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| InChIKey |
HGVQTLDTGTVRFU-YBRKRNMPSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype