General Information of the Compound
| Compound ID |
CP0551687
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| Compound Name |
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2,6-difluorobenzoate
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| Structure |
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| Formula |
C22H19F2NO4
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| Molecular Weight |
399.393
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| Canonical SMILES |
COc1ccc2cc(CN(C)C(=O)COC(=O)c3c(F)cccc3F)ccc2c1
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| InChI |
InChI=1S/C22H19F2NO4/c1-25(12-14-6-7-16-11-17(28-2)9-8-15(16)10-14)20(26)13-29-22(27)21-18(23)4-3-5-19(21)24/h3-11H,12-13H2,1-2H3
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| InChIKey |
UCPJANMWPWLBIG-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