General Information of the Compound
| Compound ID |
CP0523945
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C19H25BrN6
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| Molecular Weight |
417.355
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| Canonical SMILES |
CCC(CC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C19H25BrN6/c1-6-14(7-2)23-18-17-19(22-12(5)21-18)26(25-24-17)16-9-8-13(11(3)4)10-15(16)20/h8-11,14H,6-7H2,1-5H3,(H,21,22,23)
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| InChIKey |
RBEYRVOSQXMBNK-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