General Information of the Compound
| Compound ID |
CP0847983
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| Compound Name |
(R)-1-(3-phenoxypropyl)-3-(9H-xanthene-9-carboxamido)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C30H33BrN2O3
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| Molecular Weight |
549.509
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| Canonical SMILES |
O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21.[Br-]
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| InChI |
InChI=1S/C30H32N2O3.BrH/c33-30(29-24-11-4-6-13-27(24)35-28-14-7-5-12-25(28)29)31-26-21-32(18-15-22(26)16-19-32)17-8-20-34-23-9-2-1-3-10-23;/h1-7,9-14,22,26,29H,8,15-21H2;1H/t22?,26-,32?;/m0./s1
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| InChIKey |
RYPRTVDFRFJHLK-XDVWKIBCSA-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