General Information of the Compound
| Compound ID |
CP0385931
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| Compound Name |
1-((3-fluoro-4-(5-(1-phenylcyclohexyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)methyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C29H28FN3O2S
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| Molecular Weight |
501.627
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCCCC3)c3ccccc3)c(F)c2)C1
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| InChI |
InChI=1S/C29H28FN3O2S/c30-23-15-19(16-33-17-20(18-33)28(34)35)9-10-22(23)26-31-24-11-12-25(32-27(24)36-26)29(13-5-2-6-14-29)21-7-3-1-4-8-21/h1,3-4,7-12,15,20H,2,5-6,13-14,16-18H2,(H,34,35)
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| InChIKey |
OIQUGXZGFRNXRR-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