General Information of the Compound
| Compound ID |
CP0513526
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| Compound Name |
3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C17H21N3O
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| Molecular Weight |
283.375
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)[nH]n1
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| InChI |
InChI=1S/C17H21N3O/c1-13-3-2-11-20(13)12-10-14-4-6-15(7-5-14)16-8-9-17(21)19-18-16/h4-9,13H,2-3,10-12H2,1H3,(H,19,21)/t13-/m1/s1
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| InChIKey |
CMELSLWOMXYKFN-CYBMUJFWSA-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