General Information of the Compound
| Compound ID |
CP0403666
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| Compound Name |
1-[[3-fluoro-4-[6-(2-methyl-1,3-thiazolidine-3-carbonyl)-1,3-benzothiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H22FN3O3S2
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| Molecular Weight |
471.579
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| Canonical SMILES |
CC1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
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| InChI |
InChI=1S/C23H22FN3O3S2/c1-13-27(6-7-31-13)22(28)15-3-5-19-20(9-15)32-21(25-19)17-4-2-14(8-18(17)24)10-26-11-16(12-26)23(29)30/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,29,30)
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| InChIKey |
ITDCGUHNFYEGAU-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