General Information of the Compound
| Compound ID |
CP0463848
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| Compound Name |
(3R)-N-(6-bromopyrrolo[1,2-a]pyrazin-1-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C16H18BrN5O
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| Molecular Weight |
376.258
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| Canonical SMILES |
Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccn12
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| InChI |
InChI=1S/C16H18BrN5O/c17-13-2-1-12-14(18-5-8-22(12)13)20-15-19-9-16(23-15)10-21-6-3-11(16)4-7-21/h1-2,5,8,11H,3-4,6-7,9-10H2,(H,18,19,20)/t16-/m0/s1
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| InChIKey |
NIWYOWSZICGRPD-INIZCTEOSA-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: PT01846, Neuronal acetylcholine receptor subunit alpha-7