General Information of the Compound
| Compound ID |
CP0392161
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| Compound Name |
1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine
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| Structure |
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| Formula |
C24H32N2
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| Molecular Weight |
348.534
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| Canonical SMILES |
C[C@H]1CCCN1Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C24H32N2/c1-20-6-5-17-26(20)19-22-9-13-24(14-10-22)23-11-7-21(8-12-23)18-25-15-3-2-4-16-25/h7-14,20H,2-6,15-19H2,1H3/t20-/m0/s1
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| InChIKey |
CYEHQNDZHVQYCV-FQEVSTJZSA-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