General Information of the Compound
| Compound ID |
CP0489008
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| Compound Name |
CHEMBL4128559
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| Formula |
C25H21NO5
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| Molecular Weight |
415.445
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(CO)cc1
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| InChI |
InChI=1S/C25H21NO5/c1-31-20-13-9-18(10-14-20)23(28)21-22(17-5-3-2-4-6-17)26(25(30)24(21)29)19-11-7-16(15-27)8-12-19/h2-14,22,27,29H,15H2,1H3
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| InChIKey |
UQDDVQKRFRBKKF-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