General Information of the Compound
| Compound ID |
CP0466028
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| Compound Name |
4-[(3,4-difluorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
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| Structure |
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| Formula |
C21H21F2N3O
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| Molecular Weight |
369.415
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| Canonical SMILES |
CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O
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| InChI |
InChI=1S/C21H21F2N3O/c1-25-10-4-5-15(25)13-26-21(27)17-7-3-2-6-16(17)20(24-26)12-14-8-9-18(22)19(23)11-14/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/t15-/m1/s1
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| InChIKey |
GFOPLENUCATIPC-OAHLLOKOSA-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor