General Information of the Compound
| Compound ID |
CP0407755
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| Compound Name |
1-((3-fluoro-4-(6-(1-phenylcyclopropyl)benzo[d]thiazol-2-yl)phenyl)methyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H23FN2O2S
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| Molecular Weight |
458.558
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C3(CC3)c3ccccc3)c(F)c2)C1
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| InChI |
InChI=1S/C27H23FN2O2S/c28-22-12-17(14-30-15-18(16-30)26(31)32)6-8-21(22)25-29-23-9-7-20(13-24(23)33-25)27(10-11-27)19-4-2-1-3-5-19/h1-9,12-13,18H,10-11,14-16H2,(H,31,32)
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| InChIKey |
RWWBUTGMPHDFGX-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