General Information of the Compound
| Compound ID |
CP0152530
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| Compound Name |
1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
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| Structure |
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| Formula |
C25H31FN4O
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| Molecular Weight |
422.548
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| Canonical SMILES |
CN(C1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C25H31FN4O/c1-28(22-12-16-31-17-13-22)21-10-14-29(15-11-21)25-27-23-4-2-3-5-24(23)30(25)18-19-6-8-20(26)9-7-19/h2-9,21-22H,10-18H2,1H3
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| InChIKey |
UIDVVYFYTIPHHE-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