General Information of the Compound
| Compound ID |
CP0385903
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| Compound Name |
3-[1-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid
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| Structure |
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| Formula |
C19H21ClN4O3S
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| Molecular Weight |
420.922
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| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc(C)c(CCC(O)=O)c1C
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| InChI |
InChI=1S/C19H21ClN4O3S/c1-10(2)27-16-7-5-13(9-15(16)20)18-21-22-19(28-18)24-12(4)14(11(3)23-24)6-8-17(25)26/h5,7,9-10H,6,8H2,1-4H3,(H,25,26)
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| InChIKey |
OSCLLKDDRXLBOJ-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