General Information of the Compound
| Compound ID |
CP0464809
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| Compound Name |
CHEMBL4127905
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| Formula |
C27H24N2O6
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| Molecular Weight |
472.497
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)N1C(C(\C(=N\O)c2ccc(OC)cc2)=C(O)C1=O)c1ccccc1
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| InChI |
InChI=1S/C27H24N2O6/c1-3-35-27(32)19-9-13-20(14-10-19)29-24(18-7-5-4-6-8-18)22(25(30)26(29)31)23(28-33)17-11-15-21(34-2)16-12-17/h4-16,24,30,33H,3H2,1-2H3/b28-23+
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| InChIKey |
IRTXRGLPEHQBFJ-WEMUOSSPSA-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