General Information of the Compound
| Compound ID |
CP0568933
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| Compound Name |
methyl 1-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
COC(=O)C1CN(Cc2ccc(cc2)-n2cc(nn2)-c2ccccc2)C1
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| InChI |
InChI=1S/C20H20N4O2/c1-26-20(25)17-12-23(13-17)11-15-7-9-18(10-8-15)24-14-19(21-22-24)16-5-3-2-4-6-16/h2-10,14,17H,11-13H2,1H3
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| InChIKey |
UHYKKIAHMGSVQF-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