General Information of the Compound
| Compound ID |
CP0197660
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| Compound Name |
N-(cyclohexylmethyl)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine
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| Structure |
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| Formula |
C27H35FN4
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| Molecular Weight |
434.603
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| Canonical SMILES |
CN(CC1CCCCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C27H35FN4/c1-30(19-21-7-3-2-4-8-21)24-15-17-31(18-16-24)27-29-25-9-5-6-10-26(25)32(27)20-22-11-13-23(28)14-12-22/h5-6,9-14,21,24H,2-4,7-8,15-20H2,1H3
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| InChIKey |
LSOVNGNFKVHURS-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