General Information of the Compound
| Compound ID |
CP0407280
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| Compound Name |
(3S)-3-[4-[[2-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C28H27N3O3
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| Molecular Weight |
453.542
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(cc2)C(C)C)cc1
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| InChI |
InChI=1S/C28H27N3O3/c1-4-5-24(16-27(32)33)22-11-13-25(14-12-22)34-18-20-6-15-26-29-28(30-31(26)17-20)23-9-7-21(8-10-23)19(2)3/h6-15,17,19,24H,16,18H2,1-3H3,(H,32,33)/t24-/m0/s1
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| InChIKey |
AUGDZUDMRWARAQ-DEOSSOPVSA-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: PT02522, Free fatty acid receptor 1