General Information of the Compound
| Compound ID |
CP0852831
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| Compound Name |
7-((1R,2S,3R,5R)-5-chloro-2-(4-(cyclohexylmethyl)phenyl)-3-hydroxycyclopentyl)heptanoic acid
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| Structure |
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| Formula |
C25H37ClO3
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| Molecular Weight |
421.021
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| Canonical SMILES |
O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc(CC3CCCCC3)cc2)[C@H](O)C[C@H]1Cl
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| InChI |
InChI=1S/C25H37ClO3/c26-22-17-23(27)25(21(22)10-6-1-2-7-11-24(28)29)20-14-12-19(13-15-20)16-18-8-4-3-5-9-18/h12-15,18,21-23,25,27H,1-11,16-17H2,(H,28,29)/t21-,22+,23+,25+/m0/s1
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| InChIKey |
XVJWBTBYXGKBDM-XJTUCQONSA-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype