General Information of the Compound
| Compound ID |
CP0249049
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| Compound Name |
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-[(2S)-2-methylpiperidin-1-yl]pyridazine
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| Structure |
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| Formula |
C20H26ClN5O2S
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| Molecular Weight |
435.981
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| Canonical SMILES |
C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3/t16-/m0/s1
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| InChIKey |
CEYPNEJNCVBNLW-INIZCTEOSA-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: PT01516, Muscarinic acetylcholine receptor M5