General Information of the Compound
| Compound ID |
CP0514732
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| Compound Name |
2-(5-chlorofuran-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
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| Structure |
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| Formula |
C24H28ClN7O4
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| Molecular Weight |
513.986
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| Canonical SMILES |
COCCOc1ccc(cc1)N1CCN(CCOc2cc3nc(nn3c(N)n2)-c2ccc(Cl)o2)CC1
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| InChI |
InChI=1S/C24H28ClN7O4/c1-33-14-15-34-18-4-2-17(3-5-18)31-10-8-30(9-11-31)12-13-35-22-16-21-27-23(19-6-7-20(25)36-19)29-32(21)24(26)28-22/h2-7,16H,8-15H2,1H3,(H2,26,28)
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| InChIKey |
KJQHWCLBOHLQRT-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