General Information of the Compound
| Compound ID |
CP0866287
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| Compound Name |
7-((1R,2S,3S,5R)-3,5-dichloro-2-(4-(1-hydroxyhexyl)phenyl)cyclopentyl)hept-5-enoic acid
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| Structure |
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| Formula |
C24H34Cl2O3
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| Molecular Weight |
441.439
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| Canonical SMILES |
CCCCCC(O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](Cl)C[C@@H]2Cl)cc1
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| InChI |
InChI=1S/C24H34Cl2O3/c1-2-3-6-10-22(27)17-12-14-18(15-13-17)24-19(20(25)16-21(24)26)9-7-4-5-8-11-23(28)29/h4,7,12-15,19-22,24,27H,2-3,5-6,8-11,16H2,1H3,(H,28,29)/b7-4-/t19-,20+,21-,22?,24+/m0/s1
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| InChIKey |
ZZPVJHFTTJXWMD-LQUPIGEUSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype