General Information of the Compound
| Compound ID |
CP0385900
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| Compound Name |
2-(3-chloro-4-propan-2-yloxyphenyl)-5-(1,2,4-triazol-1-yl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C13H12ClN5OS
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| Molecular Weight |
321.793
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| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1cncn1
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| InChI |
InChI=1S/C13H12ClN5OS/c1-8(2)20-11-4-3-9(5-10(11)14)12-17-18-13(21-12)19-7-15-6-16-19/h3-8H,1-2H3
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| InChIKey |
XJGDWFFPQAQINQ-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