General Information of the Compound
| Compound ID |
CP0434294
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| Compound Name |
7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C20H21FN6O2
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| Molecular Weight |
396.426
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| Canonical SMILES |
COCCN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1
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| InChI |
InChI=1S/C20H21FN6O2/c1-28-12-10-26(9-8-14-4-6-15(21)7-5-14)17-13-18-23-19(16-3-2-11-29-16)25-27(18)20(22)24-17/h2-7,11,13H,8-10,12H2,1H3,(H2,22,24)
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| InChIKey |
DRSVRQWWPXZVHQ-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