General Information of the Compound
| Compound ID |
CP0414993
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| Compound Name |
(R)-1-[1,4]Diazepan-1-yl-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
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| Structure |
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| Formula |
C18H24F2N2O2
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| Molecular Weight |
338.398
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| Canonical SMILES |
O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)N1CCCNCC1)c1ccccc1
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| InChI |
InChI=1S/C18H24F2N2O2/c19-17(20)8-7-15(13-17)18(24,14-5-2-1-3-6-14)16(23)22-11-4-9-21-10-12-22/h1-3,5-6,15,21,24H,4,7-13H2/t15-,18+/m1/s1
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| InChIKey |
SIYFJBSSISWOBJ-QAPCUYQASA-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
Protein ID: PT01266, Muscarinic acetylcholine receptor M3