General Information of the Compound
| Compound ID |
CP0456095
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| Compound Name |
4-chloro-N-[2-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C17H18ClN5O2S
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| Molecular Weight |
391.884
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CCc2nnn[nH]2)c1
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| InChI |
InChI=1S/C17H18ClN5O2S/c18-15-5-7-16(8-6-15)26(24,25)19-11-10-14-3-1-2-13(12-14)4-9-17-20-22-23-21-17/h1-3,5-8,12,19H,4,9-11H2,(H,20,21,22,23)
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| InChIKey |
OHDBZTSRWQXSOV-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