General Information of the Compound
| Compound ID |
CP0425314
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| Compound Name |
3-(2-Bromo-4-isopropyl-phenyl)-7-(2-methoxy-1-methoxymethyl-ethoxy)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
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| Structure |
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| Formula |
C19H24BrN5O3
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| Molecular Weight |
450.337
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| Canonical SMILES |
COCC(COC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C19H24BrN5O3/c1-11(2)13-6-7-16(15(20)8-13)25-18-17(23-24-25)19(22-12(3)21-18)28-14(9-26-4)10-27-5/h6-8,11,14H,9-10H2,1-5H3
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| InChIKey |
WUNNHRFQZFKSJM-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