General Information of the Compound
| Compound ID |
CP0381191
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| Compound Name |
(2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
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| Structure |
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| Formula |
C22H16N2OS
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| Molecular Weight |
356.45
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| Canonical SMILES |
O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H16N2OS/c25-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-22(26-21)23-18-14-8-3-9-15-18/h1-15H,(H,23,24)
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| InChIKey |
LQFHHNJNCSFAOJ-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