General Information of the Compound
| Compound ID |
CP0852857
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| Compound Name |
7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclopentyl)heptanoic acid
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| Structure |
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| Formula |
C21H29ClO4
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| Molecular Weight |
380.912
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| Canonical SMILES |
O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl
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| InChI |
InChI=1S/C21H29ClO4/c22-17-12-19(24)21(16(17)5-3-1-2-4-6-20(25)26)14-7-9-15-13(11-14)8-10-18(15)23/h7,9,11,16-19,21,23-24H,1-6,8,10,12H2,(H,25,26)/t16-,17+,18?,19+,21+/m0/s1
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| InChIKey |
DJFDILBLNQVKDN-HWYLODKRSA-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: PT01819, Thromboxane A2 receptor