General Information of the Compound
| Compound ID |
CP0464912
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N-heptan-3-yl-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C21H29BrN6
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| Molecular Weight |
445.409
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| Canonical SMILES |
CCCCC(CC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C21H29BrN6/c1-6-8-9-16(7-2)25-20-19-21(24-14(5)23-20)28(27-26-19)18-11-10-15(13(3)4)12-17(18)22/h10-13,16H,6-9H2,1-5H3,(H,23,24,25)
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| InChIKey |
URKVGMJFEGLMIB-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