General Information of the Compound
| Compound ID |
CP0966784
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| Compound Name |
N2,N4-bis(4-fluorophenyl)-N6-((tetrahydrofuran-2-yl)methyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
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| Structure |
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| Formula |
C20H21ClF2N6O
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| Molecular Weight |
434.878
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| Canonical SMILES |
Cl.Fc1ccc(Nc2nc(NCC3CCCO3)nc(Nc3ccc(F)cc3)n2)cc1
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| InChI |
InChI=1S/C20H20F2N6O.ClH/c21-13-3-7-15(8-4-13)24-19-26-18(23-12-17-2-1-11-29-17)27-20(28-19)25-16-9-5-14(22)6-10-16;/h3-10,17H,1-2,11-12H2,(H3,23,24,25,26,27,28);1H
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| InChIKey |
NCCFRUMLDZHPTR-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