General Information of the Compound
| Compound ID |
CP0385932
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| Compound Name |
1-(3-fluoro-4-(5-(1-phenylcyclobutyl)thiazolo[5,4-b]pyridin-2-yl)benzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H24FN3O2S
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| Molecular Weight |
473.573
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCC3)c3ccccc3)c(F)c2)C1
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| InChI |
InChI=1S/C27H24FN3O2S/c28-21-13-17(14-31-15-18(16-31)26(32)33)7-8-20(21)24-29-22-9-10-23(30-25(22)34-24)27(11-4-12-27)19-5-2-1-3-6-19/h1-3,5-10,13,18H,4,11-12,14-16H2,(H,32,33)
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| InChIKey |
KVSCIJUANFKDHN-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