General Information of the Compound
| Compound ID |
CP0567977
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| Compound Name |
CHEMBL4585133
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| Formula |
C27H26N2O5
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| Molecular Weight |
458.514
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| Canonical SMILES |
OCc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1
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| InChI |
InChI=1S/C27H26N2O5/c30-16-17-6-8-20(9-7-17)25(31)23-24(19-4-2-1-3-5-19)29(27(33)26(23)32)21-12-10-18(11-13-21)22-14-15-34-28-22/h6-15,19,24,30,32H,1-5,16H2
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| InChIKey |
SVOUFIADKRHQDI-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