General Information of the Compound
| Compound ID |
CP0371897
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| Compound Name |
N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-pyrazol-1-ylbenzamide
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| Structure |
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| Formula |
C22H21N5O3S
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| Molecular Weight |
435.509
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cccn3)sc12
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| InChI |
InChI=1S/C22H21N5O3S/c1-4-26(14(2)28)17-10-11-18(30-3)19-20(17)31-22(24-19)25-21(29)15-6-8-16(9-7-15)27-13-5-12-23-27/h5-13H,4H2,1-3H3,(H,24,25,29)
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| InChIKey |
DCTGLEXAQPOGSB-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