General Information of the Compound
| Compound ID |
CP0503952
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| Compound Name |
2-[3-(2-chloro-5-methoxyphenyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
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| Structure |
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| Formula |
C19H26ClNO3
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| Molecular Weight |
351.874
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| Canonical SMILES |
COc1ccc(Cl)c(c1)N1CCC2(CCC(CC(O)=O)CC2)CC1
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| InChI |
InChI=1S/C19H26ClNO3/c1-24-15-2-3-16(20)17(13-15)21-10-8-19(9-11-21)6-4-14(5-7-19)12-18(22)23/h2-3,13-14H,4-12H2,1H3,(H,22,23)
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| InChIKey |
YIXZOCHHRTUZKL-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: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4