General Information of the Compound
| Compound ID |
CP0550283
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| Compound Name |
methyl 1-[[4-[4-(4-hexylphenyl)triazol-1-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C26H32N4O2
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| Molecular Weight |
432.568
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| Canonical SMILES |
CCCCCCc1ccc(cc1)-c1cn(nn1)-c1ccc(CN2CC(C2)C(=O)OC)cc1
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| InChI |
InChI=1S/C26H32N4O2/c1-3-4-5-6-7-20-8-12-22(13-9-20)25-19-30(28-27-25)24-14-10-21(11-15-24)16-29-17-23(18-29)26(31)32-2/h8-15,19,23H,3-7,16-18H2,1-2H3
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| InChIKey |
BYOYTJONKZBHGM-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3