General Information of the Compound
| Compound ID |
CP0443854
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| Compound Name |
(E)-N-[(Z)-5-(4-chlorophenyl)-3-methylpent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
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| Structure |
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| Formula |
C18H19ClN2O
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| Molecular Weight |
314.816
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| Canonical SMILES |
C\C(=C\CO\N=C1\CN2CCC1C2)C#Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H19ClN2O/c1-14(2-3-15-4-6-17(19)7-5-15)9-11-22-20-18-13-21-10-8-16(18)12-21/h4-7,9,16H,8,10-13H2,1H3/b14-9-,20-18-
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| InChIKey |
WIEJREPGMVWDKC-XNSDCXBGSA-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