General Information of the Compound
| Compound ID |
CP0456704
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| Compound Name |
4-[4-[6-(3,3-dimethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
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| Structure |
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| Formula |
C20H30N6O3S
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| Molecular Weight |
434.566
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
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| InChI |
InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3
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| InChIKey |
ZJTPWNRJJWBBAU-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5