General Information of the Compound
| Compound ID |
CP0450401
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| Compound Name |
N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
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| Structure |
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| Formula |
C24H17ClN2O2S
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| Molecular Weight |
432.932
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
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| InChI |
InChI=1S/C24H17ClN2O2S/c1-15-7-9-18(10-8-15)23(29)27-24-26-20(16-5-3-2-4-6-16)22(30-24)21(28)17-11-13-19(25)14-12-17/h2-14H,1H3,(H,26,27,29)
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| InChIKey |
VIFNFZUIGYFVAV-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