General Information of the Compound
| Compound ID |
CP0388260
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| Compound Name |
N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H22FN5O3S
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| Molecular Weight |
467.526
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12
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| InChI |
InChI=1S/C23H22FN5O3S/c1-4-29(14(2)30)18-8-9-19(32-3)20-21(18)33-23(26-20)27-22(31)16-11-25-28(13-16)12-15-6-5-7-17(24)10-15/h5-11,13H,4,12H2,1-3H3,(H,26,27,31)
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| InChIKey |
PSNVIISERJCVSC-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