General Information of the Compound
| Compound ID |
CP0054782
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| Compound Name |
4-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]-2-methoxyphenol
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| Structure |
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| Formula |
C21H22N2O5
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| Molecular Weight |
382.416
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| Canonical SMILES |
COc1cc(ccc1O)-c1cnc(N)c(c1)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C21H22N2O5/c1-25-17-8-12(5-6-16(17)24)14-7-15(21(22)23-11-14)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,24H,1-4H3,(H2,22,23)
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| InChIKey |
DVHFBEBXZOLSLS-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