General Information of the Compound
| Compound ID |
CP0461427
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| Compound Name |
1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H25N3O2
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| Molecular Weight |
351.45
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(C#N)c(=O)n(C)c1
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| InChI |
InChI=1S/C21H25N3O2/c1-16-5-3-10-24(16)11-4-12-26-20-8-6-17(7-9-20)19-13-18(14-22)21(25)23(2)15-19/h6-9,13,15-16H,3-5,10-12H2,1-2H3/t16-/m1/s1
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| InChIKey |
YVQMMXCFGLNEDU-MRXNPFEDSA-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: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor