General Information of the Compound
| Compound ID |
CP0056748
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| Compound Name |
1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one
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| Structure |
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| Formula |
C20H21ClN4O
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| Molecular Weight |
368.868
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| Canonical SMILES |
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O
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| InChI |
InChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)18-12-22-9-8-17(18)19(23-25)11-14-4-6-15(21)7-5-14/h4-9,12,16H,2-3,10-11,13H2,1H3/t16-/m1/s1
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| InChIKey |
RZBPSXCZVILRNE-MRXNPFEDSA-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