General Information of the Compound
| Compound ID |
CP0531358
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| Compound Name |
2-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C16H15ClN4O3S
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| Molecular Weight |
378.841
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| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-c1cnn(CC(O)=O)c1
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| InChI |
InChI=1S/C16H15ClN4O3S/c1-9(2)24-13-4-3-10(5-12(13)17)15-19-20-16(25-15)11-6-18-21(7-11)8-14(22)23/h3-7,9H,8H2,1-2H3,(H,22,23)
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| InChIKey |
XNBXFMCDGSRBHU-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