General Information of the Compound
| Compound ID |
CP0468712
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| Compound Name |
S-[2-(diethylamino)ethyl] 2-hydroxy-2,2-diphenylethanethioate
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| Structure |
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| Formula |
C20H25NO2S
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| Molecular Weight |
343.492
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| Canonical SMILES |
CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C20H25NO2S/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
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| InChIKey |
BEJYISOPDBBZRK-UHFFFAOYSA-N
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| CAS |
1164-43-8
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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