General Information of the Compound
| Compound ID |
CP0863771
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| Compound Name |
methyl 7-((1R,2S,3R,5R)-5-chloro-2-(2,3-dihydro-1H-inden-5-yl)-3-hydroxycyclopentyl)heptanoate
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| Structure |
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| Formula |
C22H31ClO3
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| Molecular Weight |
378.94
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| Canonical SMILES |
COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl
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| InChI |
InChI=1S/C22H31ClO3/c1-26-21(25)10-5-3-2-4-9-18-19(23)14-20(24)22(18)17-12-11-15-7-6-8-16(15)13-17/h11-13,18-20,22,24H,2-10,14H2,1H3/t18-,19+,20+,22+/m0/s1
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| InChIKey |
OQYUUCYOTLSMRU-GPQLQYNLSA-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