General Information of the Compound
| Compound ID |
CP0082231
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| Compound Name |
N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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| Structure |
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| Formula |
C19H15FN8O
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| Molecular Weight |
390.382
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| Canonical SMILES |
C[C@]1(Cn2ncnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C19H15FN8O/c1-19(9-28-17(16(22)27-19)24-10-25-28)13-6-12(3-4-14(13)20)26-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,27)(H,26,29)/t19-/m0/s1
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| InChIKey |
JFCUNFPTQJPQES-IBGZPJMESA-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