General Information of the Compound
| Compound ID |
CP0504304
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| Compound Name |
2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-N7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C25H32N8O3
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| Molecular Weight |
492.584
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| Canonical SMILES |
COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
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| InChI |
InChI=1S/C25H32N8O3/c1-30(22-18-23-27-24(21-4-3-15-36-21)29-33(23)25(26)28-22)9-10-31-11-13-32(14-12-31)19-5-7-20(8-6-19)35-17-16-34-2/h3-8,15,18H,9-14,16-17H2,1-2H3,(H2,26,28)
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| InChIKey |
WFIRIJPVGZUJGN-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