General Information of the Compound
| Compound ID |
CP0403837
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N-butyl-N-ethyltriazolo[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 |
CCCCN(CC)c1ncnc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C19H25BrN6/c1-5-7-10-25(6-2)18-17-19(22-12-21-18)26(24-23-17)16-9-8-14(13(3)4)11-15(16)20/h8-9,11-13H,5-7,10H2,1-4H3
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| InChIKey |
GCLLAKWIGDUDSS-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