General Information of the Compound
| Compound ID |
CP0367946
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| Compound Name |
2-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one
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| Structure |
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| Formula |
C24H28ClN3O
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| Molecular Weight |
409.961
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| Canonical SMILES |
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C24H28ClN3O/c1-2-3-14-27-15-6-7-20(27)17-28-24(29)22-9-5-4-8-21(22)23(26-28)16-18-10-12-19(25)13-11-18/h4-5,8-13,20H,2-3,6-7,14-17H2,1H3/t20-/m1/s1
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| InChIKey |
YZAHEHXQIMZHAJ-HXUWFJFHSA-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