General Information of the Compound
| Compound ID |
CP0396604
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| Compound Name |
2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-N7-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C27H36N8O4
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| Molecular Weight |
536.637
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| Canonical SMILES |
COCCOc1ccc(cc1)N1CCN(CCN(CCOC)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
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| InChI |
InChI=1S/C27H36N8O4/c1-36-17-15-34(24-20-25-29-26(23-4-3-16-39-23)31-35(25)27(28)30-24)14-11-32-9-12-33(13-10-32)21-5-7-22(8-6-21)38-19-18-37-2/h3-8,16,20H,9-15,17-19H2,1-2H3,(H2,28,30)
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| InChIKey |
YZQMIVUZSCWMIB-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