General Information of the Compound
| Compound ID |
CP0395112
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| Compound Name |
1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3-phenylpyridin-2-one
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| Structure |
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| Formula |
C26H30N2O2
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| Molecular Weight |
402.538
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(-c2ccccc2)c(=O)n(C)c1
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| InChI |
InChI=1S/C26H30N2O2/c1-20-8-6-15-28(20)16-7-17-30-24-13-11-21(12-14-24)23-18-25(26(29)27(2)19-23)22-9-4-3-5-10-22/h3-5,9-14,18-20H,6-8,15-17H2,1-2H3/t20-/m1/s1
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| InChIKey |
OHPJDSWSJSWBHQ-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