General Information of the Compound
| Compound ID |
CP0456101
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| Compound Name |
2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
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| Structure |
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| Formula |
C20H26FN3O2
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| Molecular Weight |
359.445
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(CCF)n1
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| InChI |
InChI=1S/C20H26FN3O2/c1-16-4-2-12-23(16)13-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)24(22-19)14-11-21/h5-10,16H,2-4,11-15H2,1H3/t16-/m1/s1
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| InChIKey |
LBRODLJSFLEILM-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor