General Information of the Compound
| Compound ID |
CP0466832
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C18H23BrN6
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| Molecular Weight |
403.328
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| Canonical SMILES |
CCCCNc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C18H23BrN6/c1-5-6-9-20-17-16-18(22-12(4)21-17)25(24-23-16)15-8-7-13(11(2)3)10-14(15)19/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,21,22)
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| InChIKey |
CUWAJJBGBREZMA-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