General Information of the Compound
| Compound ID |
CP0360896
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| Compound Name |
2-(diethylamino)ethyl (E)-3-[2-[(3,4-dimethylphenyl)carbamoyl]-4-oxochromen-6-yl]prop-2-enoate
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| Structure |
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| Formula |
C27H30N2O5
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| Molecular Weight |
462.546
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| Canonical SMILES |
CCN(CC)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)c(C)c1
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| InChI |
InChI=1S/C27H30N2O5/c1-5-29(6-2)13-14-33-26(31)12-9-20-8-11-24-22(16-20)23(30)17-25(34-24)27(32)28-21-10-7-18(3)19(4)15-21/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,28,32)/b12-9+
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| InChIKey |
GBKQJDFYZNSJDL-FMIVXFBMSA-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