General Information of the Compound
| Compound ID |
CP0456706
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| Compound Name |
7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(R)-3-hydroxy-5-(3-methoxy-phenyl)-pentyl]-cyclopentyl}-heptanoic acid
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| Structure |
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| Formula |
C24H38O6
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| Molecular Weight |
422.562
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| Canonical SMILES |
COc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(O)=O)c1
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| InChI |
InChI=1S/C24H38O6/c1-30-19-8-6-7-17(15-19)11-12-18(25)13-14-21-20(22(26)16-23(21)27)9-4-2-3-5-10-24(28)29/h6-8,15,18,20-23,25-27H,2-5,9-14,16H2,1H3,(H,28,29)/t18-,20+,21+,22-,23+/m0/s1
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| InChIKey |
DAQYIUROFOIFAX-PBZQEHOFSA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01823, Prostaglandin F2-alpha receptor
Protein ID: PT01819, Thromboxane A2 receptor