General Information of the Compound
| Compound ID |
CP0448394
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| Compound Name |
(Z)-7-{(1R,2S,3R)-2-[(E)-(S)-4-(1-Ethyl-cyclobutyl)-4-hydroxy-but-1-enyl]-3-hydroxy-cyclopentyl}-hept-5-enoic acid
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| Structure |
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| Formula |
C22H36O4
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| Molecular Weight |
364.526
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| Canonical SMILES |
CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC[C@@H]1C\C=C/CCCC(O)=O
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| InChI |
InChI=1S/C22H36O4/c1-2-22(15-8-16-22)20(24)11-7-10-18-17(13-14-19(18)23)9-5-3-4-6-12-21(25)26/h3,5,7,10,17-20,23-24H,2,4,6,8-9,11-16H2,1H3,(H,25,26)/b5-3-,10-7+/t17-,18+,19+,20-/m0/s1
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| InChIKey |
RHDMZEUUDSELOB-MVFPXBJFSA-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