General Information of the Compound
| Compound ID |
CP0000562
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| Compound Name |
4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-3-yl]-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C21H24F3N9O2S
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| Molecular Weight |
523.545
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| Canonical SMILES |
Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C21H24F3N9O2S/c1-13-28-19(31-20(25)29-13)16-9-14(12-32-5-7-33(8-6-32)36(2,34)35)10-27-18(16)30-15-3-4-17(26-11-15)21(22,23)24/h3-4,9-11H,5-8,12H2,1-2H3,(H,27,30)(H2,25,28,29,31)
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| InChIKey |
POILOEPNLLDHRQ-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