General Information of the Compound
| Compound ID |
CP0446639
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| Compound Name |
2-(N-(2-(4-fluorobenzamido)-4-methoxybenzo[d]thiazol-7-yl)acetamido)acetic acid
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| Structure |
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| Formula |
C19H16FN3O5S
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| Molecular Weight |
417.418
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| Canonical SMILES |
COc1ccc(N(CC(O)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
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| InChI |
InChI=1S/C19H16FN3O5S/c1-10(24)23(9-15(25)26)13-7-8-14(28-2)16-17(13)29-19(21-16)22-18(27)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H,25,26)(H,21,22,27)
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| InChIKey |
UTQKJKIHVKWBOE-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b