General Information of the Compound
| Compound ID |
CP0499398
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| Compound Name |
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-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=NN(C(=O)CC1)c1ccccn1
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| InChI |
InChI=1S/C23H28N4O2/c1-18-6-4-15-26(18)16-5-17-29-20-10-8-19(9-11-20)21-12-13-23(28)27(25-21)22-7-2-3-14-24-22/h2-3,7-11,14,18H,4-6,12-13,15-17H2,1H3/t18-/m1/s1
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| InChIKey |
LPOASHGXLCAYTN-GOSISDBHSA-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