General Information of the Compound
| Compound ID |
CP0518124
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| Compound Name |
2-(dimethylamino)ethyl (E)-3-[2-[(4-methoxyphenyl)carbamoyl]-4-oxochromen-6-yl]prop-2-enoate
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| Structure |
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| Formula |
C24H24N2O6
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| Molecular Weight |
436.464
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| Canonical SMILES |
COc1ccc(NC(=O)c2cc(=O)c3cc(\C=C\C(=O)OCCN(C)C)ccc3o2)cc1
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| InChI |
InChI=1S/C24H24N2O6/c1-26(2)12-13-31-23(28)11-5-16-4-10-21-19(14-16)20(27)15-22(32-21)24(29)25-17-6-8-18(30-3)9-7-17/h4-11,14-15H,12-13H2,1-3H3,(H,25,29)/b11-5+
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| InChIKey |
IRXOULORBNCFOC-VZUCSPMQSA-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