General Information of the Compound
| Compound ID |
CP0946059
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| Compound Name |
2-(Aminomethyl)-6-(3-methylbut-3-en-1-yn-1-yl)-4H-chromen-4-one trifluoroacetate
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| Structure |
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| Formula |
C17H14F3NO4
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| Molecular Weight |
353.296
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| Canonical SMILES |
C=C(C)C#Cc1ccc2oc(CN)cc(=O)c2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C15H13NO2.C2HF3O2/c1-10(2)3-4-11-5-6-15-13(7-11)14(17)8-12(9-16)18-15;3-2(4,5)1(6)7/h5-8H,1,9,16H2,2H3;(H,6,7)
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| InChIKey |
OYBKDXXTNZFVDU-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