General Information of the Compound
| Compound ID |
CP0961768
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| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)-N-(2-(methylsulfonyl)ethyl)benzamide Trifluoroacetate
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| Structure |
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| Formula |
C18H21F3N4O6S
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| Molecular Weight |
478.449
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| Canonical SMILES |
CS(=O)(=O)CCNC(=O)c1cccc(COc2cc(CN)ncn2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C16H20N4O4S.C2HF3O2/c1-25(22,23)6-5-18-16(21)13-4-2-3-12(7-13)10-24-15-8-14(9-17)19-11-20-15;3-2(4,5)1(6)7/h2-4,7-8,11H,5-6,9-10,17H2,1H3,(H,18,21);(H,6,7)
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| InChIKey |
XWTROOILHJSXGD-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