General Information of the Compound
| Compound ID |
CP0377191
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| Compound Name |
N-[7-[acetyl(difluoromethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide
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| Structure |
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| Formula |
C18H14F3N3O3S
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| Molecular Weight |
409.389
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| Canonical SMILES |
COc1ccc(N(C(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
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| InChI |
InChI=1S/C18H14F3N3O3S/c1-9(25)24(17(20)21)12-7-8-13(27-2)14-15(12)28-18(22-14)23-16(26)10-3-5-11(19)6-4-10/h3-8,17H,1-2H3,(H,22,23,26)
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| InChIKey |
KUJIOLYBGGCRQG-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