General Information of the Compound
| Compound ID |
CP0398224
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| Compound Name |
(Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4-(1-pentyl-cyclobutyl)-but-1-enyl]-5-oxo-cyclopentyl}-hept-5-enoic acid
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| Structure |
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| Formula |
C25H40O5
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| Molecular Weight |
420.59
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| Canonical SMILES |
CCCCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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| InChI |
InChI=1S/C25H40O5/c1-2-3-8-15-25(16-10-17-25)23(28)13-9-12-20-19(21(26)18-22(20)27)11-6-4-5-7-14-24(29)30/h4,6,9,12,19-20,22-23,27-28H,2-3,5,7-8,10-11,13-18H2,1H3,(H,29,30)/b6-4-,12-9+/t19-,20-,22-,23+/m1/s1
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| InChIKey |
MYFUZBBFJMXIGZ-WJGTVDCRSA-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype