General Information of the Compound
| Compound ID |
CP0203329
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| Compound Name |
4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(piperidin-4-yl)piperidine
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| Structure |
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| Formula |
C25H32N2O3S
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| Molecular Weight |
440.609
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1
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| InChI |
InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3
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| InChIKey |
XOZKVVSXDCLNPX-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