General Information of the Compound
| Compound ID |
CP0568251
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| Compound Name |
N-(1,3-benzothiazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C18H21N5O3S2
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| Molecular Weight |
419.532
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| Canonical SMILES |
Cc1nn(C)cc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
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| InChI |
InChI=1S/C18H21N5O3S2/c1-12-17(10-22(2)21-12)28(25,26)23-7-5-13(6-8-23)18(24)20-14-3-4-16-15(9-14)19-11-27-16/h3-4,9-11,13H,5-8H2,1-2H3,(H,20,24)
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| InChIKey |
GAOHPDNOIGNDGW-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01516, Muscarinic acetylcholine receptor M5