General Information of the Compound
| Compound ID |
CP0527617
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| Compound Name |
CHEMBL4851711
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| Formula |
C23H29FN4O
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| Molecular Weight |
396.51
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| Canonical SMILES |
Fc1ccccc1-c1ccc(N[C@@H]2C[C@H]3CN(CC4CCOCC4)C[C@H]3C2)nn1
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| InChI |
InChI=1S/C23H29FN4O/c24-21-4-2-1-3-20(21)22-5-6-23(27-26-22)25-19-11-17-14-28(15-18(17)12-19)13-16-7-9-29-10-8-16/h1-6,16-19H,7-15H2,(H,25,27)/t17-,18+,19+
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| InChIKey |
RKHGQLCCNBYMJX-BWTSREIZSA-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: PT00820, Acetylcholinesterase
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01156, Muscarinic acetylcholine receptor M4