General Information of the Compound
| Compound ID |
CP0389544
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| Compound Name |
3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]methanone
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| Structure |
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| Formula |
C25H25FN4O2
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| Molecular Weight |
432.499
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| Canonical SMILES |
Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2
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| InChIKey |
OBLWLENBNRYSCO-UHFFFAOYSA-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
Protein ID: PT01516, Muscarinic acetylcholine receptor M5