General Information of the Compound
| Compound ID |
CP0477680
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| Compound Name |
6-[3-[3-(1,3-benzothiazol-7-ylsulfonyl)propanoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H21N5O3S2
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| Molecular Weight |
467.576
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| Canonical SMILES |
O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N
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| InChI |
InChI=1S/C22H21N5O3S2/c23-10-15-4-7-20(24-11-15)27-16-5-6-17(27)13-26(12-16)21(28)8-9-32(29,30)19-3-1-2-18-22(19)31-14-25-18/h1-4,7,11,14,16-17H,5-6,8-9,12-13H2
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| InChIKey |
WKWYANDGYZVVAK-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2