General Information of the Compound
| Compound ID |
CP0375631
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| Compound Name |
(4-(Methylsulfonyl)phenyl)(4-phenyl-2-(phenylamino)-thiazol-5-yl)methanone
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| Structure |
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| Formula |
C23H18N2O3S2
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| Molecular Weight |
434.542
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
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| InChI |
InChI=1S/C23H18N2O3S2/c1-30(27,28)19-14-12-17(13-15-19)21(26)22-20(16-8-4-2-5-9-16)25-23(29-22)24-18-10-6-3-7-11-18/h2-15H,1H3,(H,24,25)
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| InChIKey |
IILYBKYBRATCRC-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