General Information of the Compound
| Compound ID |
CP0562999
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| Compound Name |
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
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| Structure |
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| Formula |
C17H19F3N6O3
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| Molecular Weight |
412.372
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| Canonical SMILES |
Oc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
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| InChI |
InChI=1S/C17H19F3N6O3/c18-17(19,20)12-9-13(27)21-10-11(12)14-22-15(25-1-5-28-6-2-25)24-16(23-14)26-3-7-29-8-4-26/h9-10H,1-8H2,(H,21,27)
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| InChIKey |
SJMFIMVIJACUEH-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