General Information of the Compound
| Compound ID |
CP0428596
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| Compound Name |
1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine
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| Structure |
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| Formula |
C31H38N2
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| Molecular Weight |
438.659
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| Canonical SMILES |
C[C@@H]1CCCN1Cc1ccc(cc1)-c1ccc(cc1)C(Cc1ccccc1)N1CCCCC1
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| InChI |
InChI=1S/C31H38N2/c1-25-9-8-22-33(25)24-27-12-14-28(15-13-27)29-16-18-30(19-17-29)31(32-20-6-3-7-21-32)23-26-10-4-2-5-11-26/h2,4-5,10-19,25,31H,3,6-9,20-24H2,1H3/t25-,31?/m1/s1
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| InChIKey |
YCRYTSLKCPSJNF-KZQYXEPFSA-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