General Information of the Compound
| Compound ID |
CP0413085
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| Compound Name |
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenylcarbamate
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| Structure |
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| Formula |
C25H32N2O4
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| Molecular Weight |
424.541
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| Canonical SMILES |
COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC
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| InChI |
InChI=1S/C25H32N2O4/c1-26-20-10-11-21(26)17-22(16-20)31-25(28)27(19-7-5-4-6-8-19)14-13-18-9-12-23(29-2)24(15-18)30-3/h4-9,12,15,20-22H,10-11,13-14,16-17H2,1-3H3/t20-,21-/m1/s1
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| InChIKey |
RMBYJNZDODDRNO-NHCUHLMSSA-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