General Information of the Compound
| Compound ID |
CP0281007
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| Compound Name |
5,6-bis(chloranyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyrazine
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| Structure |
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| Formula |
C12H5Cl2F3N4
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| Molecular Weight |
333.1
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)-c1nc2nc(Cl)c(Cl)nc2[nH]1
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| InChI |
InChI=1S/C12H5Cl2F3N4/c13-7-8(14)19-11-10(18-7)20-9(21-11)5-2-1-3-6(4-5)12(15,16)17/h1-4H,(H,18,19,20,21)
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| InChIKey |
BRODSJBKQDYMJU-UHFFFAOYSA-N
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| CAS |
58885-11-3
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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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3