General Information of the Compound
| Compound ID |
CP0161871
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| Compound Name |
2-(Methylamino)triazine 59
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| Structure |
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| Formula |
C24H19F3N6O2
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| Molecular Weight |
480.45
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| Canonical SMILES |
CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H19F3N6O2/c1-14-8-9-15(21(34)32-17-6-3-5-16(12-17)24(25,26)27)11-19(14)35-22-18(7-4-10-29-22)20-30-13-31-23(28-2)33-20/h3-13H,1-2H3,(H,32,34)(H,28,30,31,33)
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| InChIKey |
AQJFXYZAOCPIBG-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