General Information of the Compound
| Compound ID |
CP0002793
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| Compound Name |
(BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
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| Synonyms |
[3H]-BRL-43694
[3H]-granisetron
[3H]granisetron
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| Structure |
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| Formula |
C18H24N4O
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| Molecular Weight |
312.417
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| Canonical SMILES |
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12
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| InChI |
InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
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| InChIKey |
MFWNKCLOYSRHCJ-UHFFFAOYSA-N
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| CAS |
121061-98-1
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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: PT05367, Multidrug and toxin extrusion protein 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT04591, Solute carrier family 22 member 2
Clinical Information about the Compound