General Information of the Compound
| Compound ID |
CP0388440
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| Compound Name |
1-[(4-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(Cc2cc3c(cccc3s2)-c2ccc3ccccc3c2)C1
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| InChI |
InChI=1S/C23H19NO2S/c25-23(26)18-12-24(13-18)14-19-11-21-20(6-3-7-22(21)27-19)17-9-8-15-4-1-2-5-16(15)10-17/h1-11,18H,12-14H2,(H,25,26)
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| InChIKey |
RXFIFPXJVCXZCF-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: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5