General Information of the Compound
| Compound ID |
CP0521965
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N,N-dibutyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C22H31BrN6
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| Molecular Weight |
459.436
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| Canonical SMILES |
CCCCN(CCCC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C22H31BrN6/c1-6-8-12-28(13-9-7-2)21-20-22(25-16(5)24-21)29(27-26-20)19-11-10-17(15(3)4)14-18(19)23/h10-11,14-15H,6-9,12-13H2,1-5H3
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| InChIKey |
HMQFEQBESBEHNN-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