General Information of the Compound
| Compound ID |
CP0485170
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N-(1-methoxy-2-methylpropan-2-yl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C19H25BrN6O
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| Molecular Weight |
433.354
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| Canonical SMILES |
COCC(C)(C)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C19H25BrN6O/c1-11(2)13-7-8-15(14(20)9-13)26-18-16(24-25-26)17(21-12(3)22-18)23-19(4,5)10-27-6/h7-9,11H,10H2,1-6H3,(H,21,22,23)
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| InChIKey |
FFNMXFSDQHKPIN-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