General Information of the Compound
| Compound ID |
CP0090282
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| Compound Name |
2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
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| Structure |
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| Formula |
C11H14BrN5
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| Molecular Weight |
296.172
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| Canonical SMILES |
CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1
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| InChI |
InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16,17)
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| InChIKey |
ODCAEXNEGXTNBY-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