General Information of the Compound
| Compound ID |
CP0428654
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N-cyclopentyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C19H23BrN6
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| Molecular Weight |
415.339
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| Canonical SMILES |
CC(C)c1ccc(c(Br)c1)-n1nnc2c(NC3CCCC3)nc(C)nc12
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| InChI |
InChI=1S/C19H23BrN6/c1-11(2)13-8-9-16(15(20)10-13)26-19-17(24-25-26)18(21-12(3)22-19)23-14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,21,22,23)
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| InChIKey |
BETGKGGLSMONOG-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