General Information of the Compound
| Compound ID |
CP0537581
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| Compound Name |
CHEMBL4466162
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| Formula |
C28H27N3O5
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| Molecular Weight |
485.54
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| Canonical SMILES |
CNC(=O)c1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1
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| InChI |
InChI=1S/C28H27N3O5/c1-29-27(34)20-9-7-19(8-10-20)25(32)23-24(18-5-3-2-4-6-18)31(28(35)26(23)33)21-13-11-17(12-14-21)22-15-16-36-30-22/h7-16,18,24,33H,2-6H2,1H3,(H,29,34)
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| InChIKey |
OEAJFZCAPQQYPH-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