General Information of the Compound
| Compound ID |
CP0909260
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| Compound Name |
methyl 7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclopentyl)heptanoate
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| Structure |
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| Formula |
C22H31ClO4
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| Molecular Weight |
394.939
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| Canonical SMILES |
COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl
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| InChI |
InChI=1S/C22H31ClO4/c1-27-21(26)7-5-3-2-4-6-17-18(23)13-20(25)22(17)15-8-10-16-14(12-15)9-11-19(16)24/h8,10,12,17-20,22,24-25H,2-7,9,11,13H2,1H3/t17-,18+,19?,20+,22+/m0/s1
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| InChIKey |
MYYLZOGRCGVWSF-GDXPKGJTSA-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: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT01819, Thromboxane A2 receptor