General Information of the Compound
| Compound ID |
CP0542787
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| Compound Name |
7-hydroxy-3-(4-hydroxyphenyl)-4-[4-[2-(1H-isoquinolin-2-yl)ethoxy]benzoyl]isochromen-1-one
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| Structure |
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| Formula |
C33H25NO6
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| Molecular Weight |
531.564
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| Canonical SMILES |
Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2Cc3ccccc3C=C2)cc1
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| InChI |
InChI=1S/C33H25NO6/c35-25-9-5-23(6-10-25)32-30(28-14-11-26(36)19-29(28)33(38)40-32)31(37)22-7-12-27(13-8-22)39-18-17-34-16-15-21-3-1-2-4-24(21)20-34/h1-16,19,35-36H,17-18,20H2
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| InChIKey |
QLYZYLKQDKMAOV-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