General Information of the Compound
| Compound ID |
CP0441330
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| Compound Name |
N-butyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
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| Structure |
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| Formula |
C19H20N4OS
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| Molecular Weight |
352.463
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| Canonical SMILES |
CCCCN(C(=O)c1cccc(C)c1)c1nnc(s1)-c1cccnc1
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| InChI |
InChI=1S/C19H20N4OS/c1-3-4-11-23(18(24)15-8-5-7-14(2)12-15)19-22-21-17(25-19)16-9-6-10-20-13-16/h5-10,12-13H,3-4,11H2,1-2H3
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| InChIKey |
VZUPEEOKGIKOPL-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