General Information of the Compound
| Compound ID |
CP0236492
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| Compound Name |
N-(7-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
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| Structure |
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| Formula |
C15H18ClN7
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| Molecular Weight |
331.811
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| Canonical SMILES |
Clc1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)ncnn12
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| InChI |
InChI=1S/C15H18ClN7/c16-12-2-1-11-13(18-9-19-23(11)12)20-14-17-7-15(21-14)8-22-5-3-10(15)4-6-22/h1-2,9-10H,3-8H2,(H2,17,18,19,20,21)
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| InChIKey |
OYEJQWOXIANAAQ-UHFFFAOYSA-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