General Information of the Compound
| Compound ID |
CP0375533
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| Compound Name |
4-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
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| Structure |
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| Formula |
C27H23ClN4O3S
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| Molecular Weight |
519.026
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| Canonical SMILES |
Clc1ccccc1CN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2c(=O)s1
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| InChI |
InChI=1S/C27H23ClN4O3S/c28-22-7-3-1-5-20(22)17-31-13-15-32(16-14-31)25(34)19-11-9-18(10-12-19)24(33)30-27-29-23-8-4-2-6-21(23)26(35)36-27/h1-12H,13-17H2,(H,29,30,33)
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| InChIKey |
FKFAEINWPLXTOI-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
Protein ID: PT01279, Adenosine receptor A3