General Information of the Compound
| Compound ID |
CP0418405
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| Compound Name |
2-(6-methylpyridin-2-yl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2cccc(C)n2)c(=O)c1
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| InChI |
InChI=1S/C24H28N4O2/c1-18-6-3-8-23(26-18)28-24(29)16-21(17-25-28)20-9-11-22(12-10-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1
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| InChIKey |
ZKBYTERDWDMGKM-LJQANCHMSA-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT04865, 5-hydroxytryptamine receptor 3A