General Information of the Compound
| Compound ID |
CP0464379
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| Compound Name |
2-[3-[3-cyano-5-(trifluoromethylsulfanyl)phenyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
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| Structure |
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| Formula |
C20H23F3N2O2S
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| Molecular Weight |
412.477
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| Canonical SMILES |
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(SC(F)(F)F)cc(c1)C#N
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| InChI |
InChI=1S/C20H23F3N2O2S/c21-20(22,23)28-17-10-15(13-24)9-16(12-17)25-7-5-19(6-8-25)3-1-14(2-4-19)11-18(26)27/h9-10,12,14H,1-8,11H2,(H,26,27)
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| InChIKey |
DXIACLRPBPXBLP-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