General Information of the Compound
| Compound ID |
CP0383778
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| Compound Name |
N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C21H13ClN2O3S
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| Molecular Weight |
408.866
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
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| InChI |
InChI=1S/C21H13ClN2O3S/c22-15-10-8-14(9-11-15)18(25)19-17(13-5-2-1-3-6-13)23-21(28-19)24-20(26)16-7-4-12-27-16/h1-12H,(H,23,24,26)
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| InChIKey |
MLQXWMXBRZGYCZ-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3