General Information of the Compound
| Compound ID |
CP0551244
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| Compound Name |
[4-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethoxy]-3-methylphenyl]-[7-hydroxy-3-(4-hydroxyphenyl)-2H-chromen-4-yl]methanone
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| Structure |
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| Formula |
C32H28N2O5
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| Molecular Weight |
520.585
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| Canonical SMILES |
Cc1cc(ccc1OCCN1Cc2cccnc2C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1
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| InChI |
InChI=1S/C32H28N2O5/c1-20-15-22(6-11-29(20)38-14-13-34-17-23-3-2-12-33-28(23)18-34)32(37)31-26-10-9-25(36)16-30(26)39-19-27(31)21-4-7-24(35)8-5-21/h2-12,15-16,35-36H,13-14,17-19H2,1H3
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| InChIKey |
KJPMCJKEKZQPGD-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