General Information of the Compound
| Compound ID |
CP0568931
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| Compound Name |
methyl 1-[[4-[4-(4-ethoxyphenyl)triazol-1-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
CCOc1ccc(cc1)-c1cn(nn1)-c1ccc(CN2CC(C2)C(=O)OC)cc1
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| InChI |
InChI=1S/C22H24N4O3/c1-3-29-20-10-6-17(7-11-20)21-15-26(24-23-21)19-8-4-16(5-9-19)12-25-13-18(14-25)22(27)28-2/h4-11,15,18H,3,12-14H2,1-2H3
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| InChIKey |
UXVDRVYHVVIJDC-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