General Information of the Compound
| Compound ID |
CP0546756
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| Compound Name |
CHEMBL4128051
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| Formula |
C27H24N2O5
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| Molecular Weight |
456.498
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)C(=O)N(C)C
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| InChI |
InChI=1S/C27H24N2O5/c1-28(2)26(32)19-9-13-20(14-10-19)29-23(17-7-5-4-6-8-17)22(25(31)27(29)33)24(30)18-11-15-21(34-3)16-12-18/h4-16,23,31H,1-3H3
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| InChIKey |
LAMZIMAABVNXEM-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