General Information of the Compound
| Compound ID |
CP0389880
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| Compound Name |
CHEMBL4125741
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| Formula |
C21H19NO6
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| Molecular Weight |
381.384
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)N1CC(C(=O)c2ccc(OC)cc2)=C(O)C1=O
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| InChI |
InChI=1S/C21H19NO6/c1-3-28-21(26)14-4-8-15(9-5-14)22-12-17(19(24)20(22)25)18(23)13-6-10-16(27-2)11-7-13/h4-11,24H,3,12H2,1-2H3
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| InChIKey |
FWYZKWKOUCUIDN-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