General Information of the Compound
| Compound ID |
CP0441561
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| Compound Name |
US8987473, 186
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
CC(C)n1c2ccc(cc2n(Cc2c(C)cccc2C)c1=O)C(O)=O
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| InChI |
InChI=1S/C20H22N2O3/c1-12(2)22-17-9-8-15(19(23)24)10-18(17)21(20(22)25)11-16-13(3)6-5-7-14(16)4/h5-10,12H,11H2,1-4H3,(H,23,24)
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| InChIKey |
VLVGSTUHSCEXSF-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