General Information of the Compound
| Compound ID |
CP0381645
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| Compound Name |
N-[[4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]phenyl]methyl]-N-methylcyclohexanamine
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| Structure |
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| Formula |
C28H40N2
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| Molecular Weight |
404.642
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| Canonical SMILES |
CN(Cc1ccc(cc1)-c1ccc(CN(C)C2CCCCC2)cc1)C1CCCCC1
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| InChI |
InChI=1S/C28H40N2/c1-29(27-9-5-3-6-10-27)21-23-13-17-25(18-14-23)26-19-15-24(16-20-26)22-30(2)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3
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| InChIKey |
QDVWETVNLSAZBK-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor