General Information of the Compound
| Compound ID |
CP0476696
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| Compound Name |
3-[4-[[4-[[4-[2-(6-methylpyridin-2-yl)oxyethyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]phenyl]methoxy]phenyl]propanoic acid;dihydrochloride
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| Structure |
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| Formula |
C34H44Cl2N2O5
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| Molecular Weight |
631.641
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| Canonical SMILES |
Cl.Cl.Cc1cccc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)n1
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| InChI |
InChI=1S/C34H42N2O5.2ClH/c1-26-3-2-4-32(35-26)39-21-15-28-16-22-41-34(23-28)17-19-36(20-18-34)24-29-5-7-30(8-6-29)25-40-31-12-9-27(10-13-31)11-14-33(37)38;;/h2-10,12-13,28H,11,14-25H2,1H3,(H,37,38);2*1H
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| InChIKey |
PFVOIQQWQMCDAF-UHFFFAOYSA-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04096, Free fatty acid receptor 2
Protein ID: PT03133, Free fatty acid receptor 3
Protein ID: PT04427, Free fatty acid receptor 4