General Information of the Compound
| Compound ID |
CP0007277
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| Compound Name |
Aloxi
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| Synonyms |
(S-(R*,R*))-2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one
Aloxi
Aloxi (TN)
Onicit
Palonosetron
Palonosetron [INN]
RS 25233-197
RS 25259-197
RS-25233-197
RS-25259-197
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| Structure |
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| Formula |
C19H24N2O
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| Molecular Weight |
296.414
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| Canonical SMILES |
O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
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| InChI |
InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
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| InChIKey |
CPZBLNMUGSZIPR-NVXWUHKLSA-N
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| CAS |
135729-61-2
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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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Clinical Information about the Compound