General Information of the Compound
| Compound ID |
CP0852835
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| Compound Name |
7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(4-(1-hydroxycyclobutyl)phenyl)cyclopentyl)hept-5-enoic acid
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| Structure |
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| Formula |
C22H29ClO4
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| Molecular Weight |
392.923
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| Canonical SMILES |
O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C3(O)CCC3)cc2)[C@H](O)C[C@H]1Cl
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| InChI |
InChI=1S/C22H29ClO4/c23-18-14-19(24)21(17(18)6-3-1-2-4-7-20(25)26)15-8-10-16(11-9-15)22(27)12-5-13-22/h1,3,8-11,17-19,21,24,27H,2,4-7,12-14H2,(H,25,26)/b3-1-/t17-,18+,19+,21+/m0/s1
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| InChIKey |
SEKQEASNUGOUOU-OGYBNYPZSA-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