General Information of the Compound
| Compound ID |
CP0504303
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| Compound Name |
7-N-ethyl-7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C19H19FN6O
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| Molecular Weight |
366.4
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| Canonical SMILES |
CCN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1
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| InChI |
InChI=1S/C19H19FN6O/c1-2-25(10-9-13-5-7-14(20)8-6-13)16-12-17-22-18(15-4-3-11-27-15)24-26(17)19(21)23-16/h3-8,11-12H,2,9-10H2,1H3,(H2,21,23)
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| InChIKey |
ROCACWRRIUHWHQ-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