General Information of the Compound
| Compound ID |
CP0415365
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| Compound Name |
(3S)-3-[4-[[2-[4-(2-methoxyethoxy)phenyl]-[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 |
C28H27N3O5
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| Molecular Weight |
485.54
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| Canonical SMILES |
COCCOc1ccc(cc1)-c1nc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cn2n1
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| InChI |
InChI=1S/C28H27N3O5/c1-3-4-23(17-27(32)33)21-6-10-25(11-7-21)36-19-20-5-14-26-29-28(30-31(26)18-20)22-8-12-24(13-9-22)35-16-15-34-2/h5-14,18,23H,15-17,19H2,1-2H3,(H,32,33)/t23-/m0/s1
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| InChIKey |
GMLOQFPUTGGMQW-QHCPKHFHSA-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