General Information of the Compound
| Compound ID |
CP0458348
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| Compound Name |
3-[2-methoxy-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C19H25N3O3
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| Molecular Weight |
343.427
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| Canonical SMILES |
COc1cc(OCCCN2CCC[C@H]2C)ccc1-c1ccc(=O)[nH]n1
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| InChI |
InChI=1S/C19H25N3O3/c1-14-5-3-10-22(14)11-4-12-25-15-6-7-16(18(13-15)24-2)17-8-9-19(23)21-20-17/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1
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| InChIKey |
VSCYFWPBZANBSJ-CQSZACIVSA-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