General Information of the Compound
| Compound ID |
CP0541549
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| Compound Name |
(3R,4R)-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylspiro[1-azabicyclo[2.2.1]heptane-3,5'-4H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C14H16N6O
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| Molecular Weight |
284.323
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| Canonical SMILES |
C1CN2C[C@@H]1[C@]1(CN=C(Nc3ncnn4cccc34)O1)C2
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| InChI |
InChI=1S/C14H16N6O/c1-2-11-12(16-9-17-20(11)4-1)18-13-15-7-14(21-13)8-19-5-3-10(14)6-19/h1-2,4,9-10H,3,5-8H2,(H,15,16,17,18)/t10-,14+/m1/s1
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| InChIKey |
IHEGJAJGQPVZMA-YGRLFVJLSA-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