General Information of the Compound
| Compound ID |
CP0428624
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| Compound Name |
7-N-ethyl-2-(furan-2-yl)-7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C26H34N8O3
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| Molecular Weight |
506.611
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| Canonical SMILES |
CCN(CCN1CCN(CC1)c1ccc(OCCOC)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1
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| InChI |
InChI=1S/C26H34N8O3/c1-3-32(23-19-24-28-25(22-5-4-16-37-22)30-34(24)26(27)29-23)13-10-31-11-14-33(15-12-31)20-6-8-21(9-7-20)36-18-17-35-2/h4-9,16,19H,3,10-15,17-18H2,1-2H3,(H2,27,29)
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| InChIKey |
KBIMGEJHWYCQBO-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