General Information of the Compound
| Compound ID |
CP0568359
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| Compound Name |
methyl 1-[[4-[4-(4-chlorophenyl)triazol-1-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C20H19ClN4O2
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| Molecular Weight |
382.851
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| Canonical SMILES |
COC(=O)C1CN(Cc2ccc(cc2)-n2cc(nn2)-c2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C20H19ClN4O2/c1-27-20(26)16-11-24(12-16)10-14-2-8-18(9-3-14)25-13-19(22-23-25)15-4-6-17(21)7-5-15/h2-9,13,16H,10-12H2,1H3
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| InChIKey |
OADXQPSKHJSKHN-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