General Information of the Compound
| Compound ID |
CP0416527
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| Compound Name |
2-(1,3-benzodioxol-5-yl)ethyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
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| Structure |
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| Formula |
C23H26N2O4
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| Molecular Weight |
394.471
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| Canonical SMILES |
O=C(OCCc1ccc2OCOc2c1)N(C1CN2CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C23H26N2O4/c26-23(27-13-10-17-6-7-21-22(14-17)29-16-28-21)25(19-4-2-1-3-5-19)20-15-24-11-8-18(20)9-12-24/h1-7,14,18,20H,8-13,15-16H2
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| InChIKey |
MYODZQJNSSBKEB-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: PT01516, Muscarinic acetylcholine receptor M5