General Information of the Compound
| Compound ID |
CP0797599
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| Compound Name |
SID26658583
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| Structure |
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| Formula |
C20H20N2O3
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| Molecular Weight |
336.391
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| Canonical SMILES |
C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(OC)cc2)c(O)c1
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| InChI |
InChI=1S/C20H20N2O3/c1-13(2)12-25-16-8-9-17(19(23)10-16)20-18(11-21-22-20)14-4-6-15(24-3)7-5-14/h4-11,23H,1,12H2,2-3H3,(H,21,22)
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| InChIKey |
NMVGQILMABMRCI-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