General Information of the Compound
| Compound ID |
CP0464387
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| Compound Name |
1-[2-hydroxy-3-propyl-4-[[3-[3-(2H-tetrazol-5-yl)pyridin-2-yl]oxyphenyl]methoxy]phenyl]ethanone
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| Structure |
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| Formula |
C24H23N5O4
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| Molecular Weight |
445.479
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| Canonical SMILES |
CCCc1c(OCc2cccc(Oc3ncccc3-c3nn[nH]n3)c2)ccc(C(C)=O)c1O
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| InChI |
InChI=1S/C24H23N5O4/c1-3-6-19-21(11-10-18(15(2)30)22(19)31)32-14-16-7-4-8-17(13-16)33-24-20(9-5-12-25-24)23-26-28-29-27-23/h4-5,7-13,31H,3,6,14H2,1-2H3,(H,26,27,28,29)
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| InChIKey |
SJYPGLAXMLBTJM-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: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT01748, Metabotropic glutamate receptor 2