General Information of the Compound
| Compound ID |
CP0192367
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| Compound Name |
1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-methyl-N-phenethylpiperidin-4-amine
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| Structure |
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| Formula |
C28H31FN4
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| Molecular Weight |
442.582
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| Canonical SMILES |
CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C28H31FN4/c1-31(18-15-22-7-3-2-4-8-22)25-16-19-32(20-17-25)28-30-26-9-5-6-10-27(26)33(28)21-23-11-13-24(29)14-12-23/h2-14,25H,15-21H2,1H3
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| InChIKey |
VKVAJQSZVWNRMB-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