General Information of the Compound
| Compound ID |
CP0476369
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| Compound Name |
6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one
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| Structure |
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccn1
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| InChI |
InChI=1S/C22H24N4O/c1-17-5-4-15-25(17)16-13-18-7-9-19(10-8-18)20-11-12-22(27)26(24-20)21-6-2-3-14-23-21/h2-3,6-12,14,17H,4-5,13,15-16H2,1H3/t17-/m1/s1
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| InChIKey |
DPBOMZYEIMRMQH-QGZVFWFLSA-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