General Information of the Compound
| Compound ID |
CP0428189
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| Compound Name |
1-[[4-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]phenyl]methyl]-3,5-dimethylpiperidine
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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 |
CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CC(C)CC(C)C3)cc2)C1
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| InChI |
InChI=1S/C28H40N2/c1-21-13-22(2)16-29(15-21)19-25-5-9-27(10-6-25)28-11-7-26(8-12-28)20-30-17-23(3)14-24(4)18-30/h5-12,21-24H,13-20H2,1-4H3
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| InChIKey |
LJPGMCFDZQFOND-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