General Information of the Compound
| Compound ID |
CP0500011
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| Compound Name |
2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-pentylphthalazin-1-one
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| Structure |
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| Formula |
C19H27N3O
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| Molecular Weight |
313.445
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| Canonical SMILES |
CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12
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| InChI |
InChI=1S/C19H27N3O/c1-3-4-5-12-18-16-10-6-7-11-17(16)19(23)22(20-18)14-15-9-8-13-21(15)2/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3/t15-/m1/s1
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| InChIKey |
ZAIFESHMEUUZQE-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