General Information of the Compound
| Compound ID |
CP0413350
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| Compound Name |
US8772323, 99
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C22H23N3O3/c1-4-14-12-20(26)24-25-21(14)16-7-10-18-19(11-16)28-22(23-18)15-5-8-17(9-6-15)27-13(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,24,26)
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| InChIKey |
NHFDBDGQWBFYDE-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