General Information of the Compound
| Compound ID |
CP0469281
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| Compound Name |
2-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)ethyl methanesulfonate
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| Structure |
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| Formula |
C22H23N7O5S
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| Molecular Weight |
497.537
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| Canonical SMILES |
CS(=O)(=O)OCCOc1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
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| InChI |
InChI=1S/C22H23N7O5S/c1-35(30,31)34-13-12-32-16-8-6-15(7-9-16)4-2-10-28-20-17(14-24-28)21-25-19(18-5-3-11-33-18)27-29(21)22(23)26-20/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H2,23,26)
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| InChIKey |
ODJOPXDFBNAQCH-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