General Information of the Compound
| Compound ID |
CP0403968
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| Compound Name |
(E)-N-[(Z)-3-methyl-5-(4-methylphenyl)pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
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| Structure |
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| Formula |
C19H22N2O
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| Molecular Weight |
294.398
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| Canonical SMILES |
C\C(=C\CO\N=C1\CN2CCC1C2)C#Cc1ccc(C)cc1
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| InChI |
InChI=1S/C19H22N2O/c1-15-3-6-17(7-4-15)8-5-16(2)10-12-22-20-19-14-21-11-9-18(19)13-21/h3-4,6-7,10,18H,9,11-14H2,1-2H3/b16-10-,20-19-
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| InChIKey |
XUFIACFPXOFBTM-SMFDUERQSA-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