General Information of the Compound
| Compound ID |
CP0862110
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| Compound Name |
N1,N3-bis(4-hydroxy-4,4-diphenylbutyl)-N1,N3-dimethylpropane-1,3-diaminium chloride
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| Structure |
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| Formula |
C37H48Cl2N2O2
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| Molecular Weight |
623.709
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| Canonical SMILES |
CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1.Cl.Cl
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| InChI |
InChI=1S/C37H46N2O2.2ClH/c1-38(28-15-26-36(40,32-18-7-3-8-19-32)33-20-9-4-10-21-33)30-17-31-39(2)29-16-27-37(41,34-22-11-5-12-23-34)35-24-13-6-14-25-35;;/h3-14,18-25,40-41H,15-17,26-31H2,1-2H3;2*1H
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| InChIKey |
WKQSRKXBSJVAPZ-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5