General Information of the Compound
| Compound ID |
CP0416478
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| Compound Name |
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyltriazolo[4,5-h]quinazolin-6-amine
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| Structure |
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| Formula |
C17H15FN6O
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| Molecular Weight |
338.346
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| Canonical SMILES |
COc1ccc(CNc2ncnc3c4n(C)nnc4ccc23)cc1F
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| InChI |
InChI=1S/C17H15FN6O/c1-24-16-13(22-23-24)5-4-11-15(16)20-9-21-17(11)19-8-10-3-6-14(25-2)12(18)7-10/h3-7,9H,8H2,1-2H3,(H,19,20,21)
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| InChIKey |
UBXVWDACJYTUQR-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