General Information of the Compound
| Compound ID |
CP0401204
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| Compound Name |
1-[[4-[6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-1,3-benzothiazol-2-yl]-3-fluorophenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H24FN3O3S2
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| Molecular Weight |
485.606
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| Canonical SMILES |
CC1(C)SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
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| InChI |
InChI=1S/C24H24FN3O3S2/c1-24(2)28(7-8-32-24)22(29)15-4-6-19-20(10-15)33-21(26-19)17-5-3-14(9-18(17)25)11-27-12-16(13-27)23(30)31/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,30,31)
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| InChIKey |
DOAUYPPXOJGGAF-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