General Information of the Compound
| Compound ID |
CP0904056
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| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)-N-(2-hydroxy-2-methylpropyl)benzamide Trifluoroacetate
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| Structure |
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| Formula |
C19H23F3N4O5
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| Molecular Weight |
444.41
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| Canonical SMILES |
CC(C)(O)CNC(=O)c1cccc(COc2cc(CN)ncn2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H22N4O3.C2HF3O2/c1-17(2,23)10-19-16(22)13-5-3-4-12(6-13)9-24-15-7-14(8-18)20-11-21-15;3-2(4,5)1(6)7/h3-7,11,23H,8-10,18H2,1-2H3,(H,19,22);(H,6,7)
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| InChIKey |
PSKPWYGXBQVXBG-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