General Information of the Compound
| Compound ID |
CP0478832
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| Compound Name |
4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C17H20ClNO3S
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| Molecular Weight |
353.871
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| Canonical SMILES |
OCCCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C17H20ClNO3S/c18-16-6-8-17(9-7-16)23(21,22)19-11-10-15-4-1-3-14(13-15)5-2-12-20/h1,3-4,6-9,13,19-20H,2,5,10-12H2
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| InChIKey |
NLCTZNYPPMDNHU-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