General Information of the Compound
| Compound ID |
CP0512531
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| Compound Name |
6-[3,5-difluoro-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-methylpyridazin-3-one
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| Structure |
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| Formula |
C19H23F2N3O2
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| Molecular Weight |
363.408
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1c(F)cc(cc1F)-c1ccc(=O)n(C)n1
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| InChI |
InChI=1S/C19H23F2N3O2/c1-13-5-3-8-24(13)9-4-10-26-19-15(20)11-14(12-16(19)21)17-6-7-18(25)23(2)22-17/h6-7,11-13H,3-5,8-10H2,1-2H3/t13-/m1/s1
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| InChIKey |
YNVCMSXVHXXVJI-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