General Information of the Compound
| Compound ID |
CP0555162
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| Compound Name |
CHEMBL4544543
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| Formula |
C28H22N2O6
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| Molecular Weight |
482.492
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OC)c1ccc(cc1)-c1ccon1
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| InChI |
InChI=1S/C28H22N2O6/c1-34-20-13-9-18(10-14-20)26(31)24-25(21-5-3-4-6-23(21)35-2)30(28(33)27(24)32)19-11-7-17(8-12-19)22-15-16-36-29-22/h3-16,25,32H,1-2H3
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| InChIKey |
DUOBRJOSFTXCLL-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