General Information of the Compound
| Compound ID |
CP0046463
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| Compound Name |
3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
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| Synonyms |
CEP-26401
Irdabisant
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| Structure |
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| Formula |
C18H23N3O2
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| Molecular Weight |
313.401
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1
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| InChI |
InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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| InChIKey |
XUKROCVZGZNGSI-CQSZACIVSA-N
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| CAS |
1005402-19-6
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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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound