General Information of the Compound
| Compound ID |
CP0144394
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| Compound Name |
2-(dimethylamino)ethyl (E)-3-[4-oxo-3-(phenylcarbamoyl)chromen-6-yl]prop-2-enoate
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| Structure |
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| Formula |
C23H22N2O5
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| Molecular Weight |
406.438
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| Canonical SMILES |
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
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| InChI |
InChI=1S/C23H22N2O5/c1-25(2)12-13-29-21(26)11-9-16-8-10-20-18(14-16)22(27)19(15-30-20)23(28)24-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,24,28)/b11-9+
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| InChIKey |
LCTAOJAKRLVNOM-PKNBQFBNSA-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