General Information of the Compound
| Compound ID |
CP0935343
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| Compound Name |
(R)-1-(3-(1H-pyrrol-1-yl)propyl)-3-(N-methyl-9H-xanthene-9-carboxamido)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C29H34BrN3O2
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| Molecular Weight |
536.514
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| Canonical SMILES |
CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2.[Br-]
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| InChI |
InChI=1S/C29H34N3O2.BrH/c1-30(25-21-32(19-13-22(25)14-20-32)18-8-17-31-15-6-7-16-31)29(33)28-23-9-2-4-11-26(23)34-27-12-5-3-10-24(27)28;/h2-7,9-12,15-16,22,25,28H,8,13-14,17-21H2,1H3;1H/q+1;/p-1/t22?,25-,32?;/m0./s1
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| InChIKey |
NIHSLQJBOAEDMA-ZJKFLMFHSA-M
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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