General Information of the Compound
| Compound ID |
CP0314406
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| Compound Name |
2-(diethylamino)ethyl (E)-3-[3-[(3-chlorophenyl)carbamoyl]-4-oxochromen-6-yl]prop-2-enoate
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| Structure |
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| Formula |
C25H25ClN2O5
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| Molecular Weight |
468.937
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| Canonical SMILES |
CCN(CC)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
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| InChI |
InChI=1S/C25H25ClN2O5/c1-3-28(4-2)12-13-32-23(29)11-9-17-8-10-22-20(14-17)24(30)21(16-33-22)25(31)27-19-7-5-6-18(26)15-19/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,27,31)/b11-9+
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| InChIKey |
DLYAUIKDSPJOME-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