General Information of the Compound
| Compound ID |
CP0172563
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| Compound Name |
(E)-3-[4-[[3-(4-fluoro-2-methylphenyl)-7-hydroxy-2-oxochromen-4-yl]-methylamino]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H20FNO5
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| Molecular Weight |
445.446
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| Canonical SMILES |
CN(c1ccc(\C=C\C(O)=O)cc1)c1c(-c2ccc(F)cc2C)c(=O)oc2cc(O)ccc12
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| InChI |
InChI=1S/C26H20FNO5/c1-15-13-17(27)6-10-20(15)24-25(21-11-9-19(29)14-22(21)33-26(24)32)28(2)18-7-3-16(4-8-18)5-12-23(30)31/h3-14,29H,1-2H3,(H,30,31)/b12-5+
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| InChIKey |
MXKFWFABWNUKCB-LFYBBSHMSA-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