General Information of the Compound
| Compound ID |
CP0335185
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| Compound Name |
2-(dimethylamino)ethyl (E)-3-[3-[(4-chlorophenyl)carbamoyl]-4-oxochromen-6-yl]prop-2-enoate
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| Structure |
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| Formula |
C23H21ClN2O5
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| Molecular Weight |
440.883
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| Canonical SMILES |
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1
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| InChI |
InChI=1S/C23H21ClN2O5/c1-26(2)11-12-30-21(27)10-4-15-3-9-20-18(13-15)22(28)19(14-31-20)23(29)25-17-7-5-16(24)6-8-17/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)/b10-4+
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| InChIKey |
POTPHPIXODXBIT-ONNFQVAWSA-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