General Information of the Compound
Compound ID |
CP0420691
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Compound Name |
(R)-1-[4-(2-Amino-acetyl)-piperazin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
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Structure |
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Formula |
C19H25F2N3O3
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Molecular Weight |
381.423
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Canonical SMILES |
NCC(=O)N1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
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InChI |
InChI=1S/C19H25F2N3O3/c20-18(21)7-6-15(12-18)19(27,14-4-2-1-3-5-14)17(26)24-10-8-23(9-11-24)16(25)13-22/h1-5,15,27H,6-13,22H2/t15-,19+/m1/s1
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InChIKey |
UKMOUADRKGHLMZ-BEFAXECRSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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