General Information of the Compound
| Compound ID |
CP0392201
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| Compound Name |
3-(2,4-dibromophenyl)-N-heptan-4-yl-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C18H22Br2N6
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| Molecular Weight |
482.224
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| Canonical SMILES |
CCCC(CCC)Nc1nc(C)nc2n(nnc12)-c1ccc(Br)cc1Br
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| InChI |
InChI=1S/C18H22Br2N6/c1-4-6-13(7-5-2)23-17-16-18(22-11(3)21-17)26(25-24-16)15-9-8-12(19)10-14(15)20/h8-10,13H,4-7H2,1-3H3,(H,21,22,23)
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| InChIKey |
FMUGNCSNUDORFS-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