General Information of the Compound
| Compound ID |
CP0560759
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| Compound Name |
US8772323, 92
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| Structure |
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| Formula |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C21H21N3O4/c1-4-12-11-19(25)23-24-20(12)13-5-7-15-17(9-13)28-21(22-15)14-6-8-16(26-2)18(10-14)27-3/h5-10,12H,4,11H2,1-3H3,(H,23,25)
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| InChIKey |
RTMJDUHPXMGRQT-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