General Information of the Compound
| Compound ID |
CP0492180
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| Compound Name |
4-chloro-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-pentylbenzamide
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| Structure |
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| Formula |
C20H19ClFN3OS
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| Molecular Weight |
403.91
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| Canonical SMILES |
CCCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(s1)-c1cccc(F)c1
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| InChI |
InChI=1S/C20H19ClFN3OS/c1-2-3-4-12-25(19(26)14-8-10-16(21)11-9-14)20-24-23-18(27-20)15-6-5-7-17(22)13-15/h5-11,13H,2-4,12H2,1H3
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| InChIKey |
PSMXYQGGVJFTPF-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