General Information of the Compound
| Compound ID |
CP0518326
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| Compound Name |
2-[[3-(2-Bromo-4-isopropyl-phenyl)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-(2-hydroxy-ethyl)-amino]-ethanol
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| Structure |
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| Formula |
C18H23BrN6O2
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| Molecular Weight |
435.326
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| Canonical SMILES |
CC(C)c1ccc(c(Br)c1)-n1nnc2c(nc(C)nc12)N(CCO)CCO
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| InChI |
InChI=1S/C18H23BrN6O2/c1-11(2)13-4-5-15(14(19)10-13)25-18-16(22-23-25)17(20-12(3)21-18)24(6-8-26)7-9-27/h4-5,10-11,26-27H,6-9H2,1-3H3
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| InChIKey |
KWYGJNOSBZLSIX-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