General Information of the Compound
| Compound ID |
CP0025090
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| Compound Name |
CHEMBL4127637
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| Formula |
C27H26N2O5
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| Molecular Weight |
458.514
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1
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| InChI |
InChI=1S/C27H26N2O5/c1-33-21-13-9-19(10-14-21)25(30)23-24(18-5-3-2-4-6-18)29(27(32)26(23)31)20-11-7-17(8-12-20)22-15-16-34-28-22/h7-16,18,24,31H,2-6H2,1H3
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| InChIKey |
VVVNQMHFXWAMBD-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