General Information of the Compound
| Compound ID |
CP0398474
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| Compound Name |
3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C17H18ClNO4S
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| Molecular Weight |
367.854
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| Canonical SMILES |
OC(=O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C17H18ClNO4S/c18-15-5-7-16(8-6-15)24(22,23)19-11-10-14-3-1-2-13(12-14)4-9-17(20)21/h1-3,5-8,12,19H,4,9-11H2,(H,20,21)
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| InChIKey |
AGRAPFFXIAIYEB-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: PT04623, Thromboxane A2 receptor
Protein ID: PT01819, Thromboxane A2 receptor