General Information of the Compound
| Compound ID |
CP0505330
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| Compound Name |
2-(furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethylthio)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
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| Structure |
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| Formula |
C24H29N7O3S
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| Molecular Weight |
495.609
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| Canonical SMILES |
COCCOc1ccc(cc1)N1CCN(CCSc2cc3nc(nn3c(N)n2)-c2ccco2)CC1
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| InChI |
InChI=1S/C24H29N7O3S/c1-32-14-15-33-19-6-4-18(5-7-19)30-10-8-29(9-11-30)12-16-35-22-17-21-26-23(20-3-2-13-34-20)28-31(21)24(25)27-22/h2-7,13,17H,8-12,14-16H2,1H3,(H2,25,27)
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| InChIKey |
JAAZMFLAXXMDNB-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