General Information of the Compound
| Compound ID |
CP0218742
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| Compound Name |
3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]methanone
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
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| InChI |
InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3
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| InChIKey |
ZWNJXGBYRPSQML-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