General Information of the Compound
| Compound ID |
CP0574382
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| Compound Name |
CHEMBL4532166
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| Formula |
C27H24N2O6
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| Molecular Weight |
472.497
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1
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| InChI |
InChI=1S/C27H24N2O6/c30-24(18-6-8-19(9-7-18)27(33)34)22-23(17-4-2-1-3-5-17)29(26(32)25(22)31)20-12-10-16(11-13-20)21-14-15-35-28-21/h6-15,17,23,31H,1-5H2,(H,33,34)
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| InChIKey |
QTJAYHDQWCPUTJ-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