General Information of the Compound
| Compound ID |
CP0372191
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| Compound Name |
4-[(3-methoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1
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| InChI |
InChI=1S/C22H25N3O2/c1-24-12-6-8-17(24)15-25-22(26)20-11-4-3-10-19(20)21(23-25)14-16-7-5-9-18(13-16)27-2/h3-5,7,9-11,13,17H,6,8,12,14-15H2,1-2H3/t17-/m1/s1
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| InChIKey |
JWDZDXFXHWMSGR-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor