General Information of the Compound
| Compound ID |
CP0500271
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| Compound Name |
2-[3-[4-(trifluoromethyl)pyridin-2-yl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
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| Structure |
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| Formula |
C18H23F3N2O2
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| Molecular Weight |
356.388
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| Canonical SMILES |
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C18H23F3N2O2/c19-18(20,21)14-3-8-22-15(12-14)23-9-6-17(7-10-23)4-1-13(2-5-17)11-16(24)25/h3,8,12-13H,1-2,4-7,9-11H2,(H,24,25)
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| InChIKey |
GCHINJJAFUYXMP-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