General Information of the Compound
| Compound ID |
CP0276468
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| Compound Name |
N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-N-methylpyrimidin-2-amine
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| Structure |
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| Formula |
C24H25FN6
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| Molecular Weight |
416.504
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| Canonical SMILES |
CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ncccn1
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| InChI |
InChI=1S/C24H25FN6/c1-29(23-26-13-4-14-27-23)20-11-15-30(16-12-20)24-28-21-5-2-3-6-22(21)31(24)17-18-7-9-19(25)10-8-18/h2-10,13-14,20H,11-12,15-17H2,1H3
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| InChIKey |
HEFAAVYYGFTJLY-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: PT01206, Histamine H1 receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1