General Information of the Compound
| Compound ID |
CP0575432
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| Compound Name |
2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C16H16F6N6O3
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| Molecular Weight |
454.331
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| Canonical SMILES |
CCN(CC)c1nc(Nc2cccc(c2)[N+]([O-])=O)nc(OC(C(F)(F)F)C(F)(F)F)n1
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| InChI |
InChI=1S/C16H16F6N6O3/c1-3-27(4-2)13-24-12(23-9-6-5-7-10(8-9)28(29)30)25-14(26-13)31-11(15(17,18)19)16(20,21)22/h5-8,11H,3-4H2,1-2H3,(H,23,24,25,26)
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| InChIKey |
NDFLPIWKRXACOV-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