General Information of the Compound
| Compound ID |
CP0414869
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| Compound Name |
1-[(5-naphthalen-2-yl-1-benzothiophen-2-yl)methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H19NO2S
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| Molecular Weight |
373.477
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| Canonical SMILES |
OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1
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| InChI |
InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)
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| InChIKey |
PQTJBCHIJUZFPZ-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: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5