General Information of the Compound
| Compound ID |
CP0427549
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| Compound Name |
(2S)-2-methyl-1-[(1S)-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]pentyl]piperidine
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| Structure |
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| Formula |
C29H42N2
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| Molecular Weight |
418.669
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| Canonical SMILES |
CCCC[C@H](N1CCCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C29H42N2/c1-3-4-11-29(31-22-9-6-10-24(31)2)28-18-16-27(17-19-28)26-14-12-25(13-15-26)23-30-20-7-5-8-21-30/h12-19,24,29H,3-11,20-23H2,1-2H3/t24-,29-/m0/s1
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| InChIKey |
OEGMVAUTHDRDIB-OUTSHDOLSA-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