General Information of the Compound
| Compound ID |
CP0448597
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| Compound Name |
7-{(1R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4-(1-propyl-cyclobutyl)-but-1-enyl]-5-oxo-cyclopentyl}-hept-5-ynoic acid
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| Structure |
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| Formula |
C23H34O5
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| Molecular Weight |
390.52
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| Canonical SMILES |
CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1CC#CCCCC(O)=O
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| InChI |
InChI=1S/C23H34O5/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h7,10,17-18,20-21,25-26H,2,4,6,8-9,11-16H2,1H3,(H,27,28)/b10-7+/t17-,18?,20-,21+/m1/s1
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| InChIKey |
LMDWTEGDIUBQOZ-PMHJYTGQSA-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: 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