General Information of the Compound
| Compound ID |
CP0452072
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| Compound Name |
3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one
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| Structure |
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| Formula |
C23H28N4O2
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| Molecular Weight |
392.503
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C(C1)c1ccccn1
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| InChI |
InChI=1S/C23H28N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,17,20H,4-6,13-16H2,1H3,(H,26,28)/t17-,20?/m1/s1
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| InChIKey |
PSLXXKMQUAZROE-DIAVIDTQSA-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