General Information of the Compound
| Compound ID |
CP0467406
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| Compound Name |
5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-phenylpyridin-2-one
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| Structure |
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| Formula |
C25H28N2O2
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| Molecular Weight |
388.511
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(c1)-c1ccccc1
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| InChI |
InChI=1S/C25H28N2O2/c1-20-7-5-16-26(20)17-6-18-29-24-13-10-21(11-14-24)22-12-15-25(28)27(19-22)23-8-3-2-4-9-23/h2-4,8-15,19-20H,5-7,16-18H2,1H3/t20-/m1/s1
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| InChIKey |
BPQQIEBCWLLNSM-HXUWFJFHSA-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: PT01173, Histamine H3 receptor