General Information of the Compound
| Compound ID |
CP0549814
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| Compound Name |
[7-hydroxy-3-(4-hydroxyphenyl)-2H-chromen-4-yl]-[3-methyl-4-[2-(8H-1,7-naphthyridin-7-yl)ethoxy]phenyl]methanone
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| Structure |
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| Formula |
C33H28N2O5
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| Molecular Weight |
532.596
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| Canonical SMILES |
Cc1cc(ccc1OCCN1Cc2ncccc2C=C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1
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| InChI |
InChI=1S/C33H28N2O5/c1-21-17-24(6-11-30(21)39-16-15-35-14-12-23-3-2-13-34-29(23)19-35)33(38)32-27-10-9-26(37)18-31(27)40-20-28(32)22-4-7-25(36)8-5-22/h2-14,17-18,36-37H,15-16,19-20H2,1H3
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| InChIKey |
IWMRBSFBFQITCE-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