General Information of the Compound
| Compound ID |
CP0356645
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| Compound Name |
[1-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
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| Structure |
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| Formula |
C24H22F2N4O2
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| Molecular Weight |
436.462
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| Canonical SMILES |
Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1
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| InChI |
InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2
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| InChIKey |
AVVMQHQEYKLYQE-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