General Information of the Compound
| Compound ID |
CP0512682
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| Compound Name |
4-chloro-N-[2-[3-[[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]methyl]phenyl]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C19H17ClN2O5S
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| Molecular Weight |
420.874
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| Canonical SMILES |
Oc1c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c(=O)c1=O
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| InChI |
InChI=1S/C19H17ClN2O5S/c20-14-4-6-15(7-5-14)28(26,27)22-9-8-12-2-1-3-13(10-12)11-21-16-17(23)19(25)18(16)24/h1-7,10,21-23H,8-9,11H2
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| InChIKey |
CVPOHUCKSJLQHL-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