General Information of the Compound
| Compound ID |
CP0568826
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| Compound Name |
(3R,4R)-N-(1,3-benzothiazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-fluoropiperidine-4-carboxamide
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| Structure |
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| Formula |
C18H20FN5O3S2
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| Molecular Weight |
437.522
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| Canonical SMILES |
Cc1nn(C)cc1S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1
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| InChI |
InChI=1S/C18H20FN5O3S2/c1-11-17(9-23(2)22-11)29(26,27)24-6-5-13(14(19)8-24)18(25)21-12-3-4-16-15(7-12)20-10-28-16/h3-4,7,9-10,13-14H,5-6,8H2,1-2H3,(H,21,25)/t13-,14-/m0/s1
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| InChIKey |
IZSBBIJSWKIHSQ-KBPBESRZSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01516, Muscarinic acetylcholine receptor M5