General Information of the Compound
| Compound ID |
CP0375611
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| Compound Name |
(4-Chlorophenyl)(2-(methylamino)-4-phenylthiazol-5-yl)methanone
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| Structure |
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| Formula |
C17H13ClN2OS
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| Molecular Weight |
328.824
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| Canonical SMILES |
CNc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
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| InChI |
InChI=1S/C17H13ClN2OS/c1-19-17-20-14(11-5-3-2-4-6-11)16(22-17)15(21)12-7-9-13(18)10-8-12/h2-10H,1H3,(H,19,20)
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| InChIKey |
OFCNQBFNYGMDQT-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