General Information of the Compound
| Compound ID |
CP0468086
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| Compound Name |
4-[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-yl]amino]pyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile
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| Structure |
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| Formula |
C16H17N7O
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| Molecular Weight |
323.36
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| Canonical SMILES |
N#Cc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12
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| InChI |
InChI=1S/C16H17N7O/c17-7-12-1-2-13-14(19-10-20-23(12)13)21-15-18-8-16(24-15)9-22-5-3-11(16)4-6-22/h1-2,10-11H,3-6,8-9H2,(H,18,19,20,21)/t16-/m0/s1
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| InChIKey |
IFRALMVMHCDMMY-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