General Information of the Compound
| Compound ID |
CP0577435
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| Compound Name |
(3R,4R)-N-(1,3-benzothiazol-5-yl)-3-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C17H17FN4O3S3
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| Molecular Weight |
440.547
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| Canonical SMILES |
Cc1ncc(s1)S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1
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| InChI |
InChI=1S/C17H17FN4O3S3/c1-10-19-7-16(27-10)28(24,25)22-5-4-12(13(18)8-22)17(23)21-11-2-3-15-14(6-11)20-9-26-15/h2-3,6-7,9,12-13H,4-5,8H2,1H3,(H,21,23)/t12-,13-/m0/s1
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| InChIKey |
QSZUIVPHVBAFMS-STQMWFEESA-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: PT01516, Muscarinic acetylcholine receptor M5