General Information of the Compound
| Compound ID |
CP0489580
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| Compound Name |
4-chloro-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
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| Structure |
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| Formula |
C15H9ClFN3OS
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| Molecular Weight |
333.775
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| Canonical SMILES |
Fc1cccc(c1)-c1nnc(NC(=O)c2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C15H9ClFN3OS/c16-11-6-4-9(5-7-11)13(21)18-15-20-19-14(22-15)10-2-1-3-12(17)8-10/h1-8H,(H,18,20,21)
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| InChIKey |
ZNPJOKSMRXRRJJ-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