General Information of the Compound
| Compound ID |
CP0302311
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| Compound Name |
1-(3-(2-chloro-6-fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
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| Structure |
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| Formula |
C23H20ClFN4O
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| Molecular Weight |
422.891
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| Canonical SMILES |
Nc1nccn2c(nc(-c3cccc(OCc4c(F)cccc4Cl)c3)c12)C1CCC1
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| InChI |
InChI=1S/C23H20ClFN4O/c24-18-8-3-9-19(25)17(18)13-30-16-7-2-6-15(12-16)20-21-22(26)27-10-11-29(21)23(28-20)14-4-1-5-14/h2-3,6-12,14H,1,4-5,13H2,(H2,26,27)
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| InChIKey |
WIJLBHQUIQDPKH-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