General Information of the Compound
| Compound ID |
CP0160988
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| Compound Name |
2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
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| Structure |
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| Formula |
C20H27N3O3
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| Molecular Weight |
357.454
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| Canonical SMILES |
COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1
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| InChI |
InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1
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| InChIKey |
MURCULVYVOMYIO-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor