General Information of the Compound
| Compound ID |
CP0507622
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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-ylamino]-butyric acid methyl ester
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| Structure |
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| Formula |
C19H23BrN6O2
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| Molecular Weight |
447.337
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| Canonical SMILES |
CCC(Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C)C(=O)OC
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| InChI |
InChI=1S/C19H23BrN6O2/c1-6-14(19(27)28-5)23-17-16-18(22-11(4)21-17)26(25-24-16)15-8-7-12(10(2)3)9-13(15)20/h7-10,14H,6H2,1-5H3,(H,21,22,23)
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| InChIKey |
KVNHPGBQTSFJCB-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