General Information of the Compound
| Compound ID |
CP0402069
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| Compound Name |
(E)-7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxymethyl-phenyl)-but-1-enyl]-cyclopentyl}-hept-5-enoic acid
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| Structure |
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| Formula |
C24H33ClO5
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| Molecular Weight |
436.976
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| Canonical SMILES |
COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C\C=C\CCCC(O)=O)c1
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| InChI |
InChI=1S/C24H33ClO5/c1-30-16-18-8-6-7-17(13-18)14-19(26)11-12-21-20(22(25)15-23(21)27)9-4-2-3-5-10-24(28)29/h2,4,6-8,11-13,19-23,26-27H,3,5,9-10,14-16H2,1H3,(H,28,29)/b4-2+,12-11+/t19-,20-,21-,22-,23-/m1/s1
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| InChIKey |
XJDMSHQBMRWTHV-NGTZFMKBSA-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