General Information of the Compound
| Compound ID |
CP0113828
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| Compound Name |
2-[2-(2,6-dichloroanilino)phenyl]-N-[2-(2-oxochromen-6-yl)oxyethyl]acetamide
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| Structure |
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| Formula |
C25H20Cl2N2O4
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| Molecular Weight |
483.351
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| Canonical SMILES |
Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2oc(=O)ccc2c1
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| InChI |
InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-16(21)15-23(30)28-12-13-32-18-9-10-22-17(14-18)8-11-24(31)33-22/h1-11,14,29H,12-13,15H2,(H,28,30)
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| InChIKey |
TXVQNFKIVJJNQQ-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