General Information of the Compound
| Compound ID |
CP0556701
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| Compound Name |
US8772323, 43
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| Structure |
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| Formula |
C22H22N4O4
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| Molecular Weight |
406.442
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(=O)NC)cc1
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| InChI |
InChI=1S/C22H22N4O4/c1-3-13-11-19(27)25-26-21(13)15-6-9-17-18(10-15)30-22(24-17)14-4-7-16(8-5-14)29-12-20(28)23-2/h4-10,13H,3,11-12H2,1-2H3,(H,23,28)(H,25,27)
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| InChIKey |
OKFOFDWFSSCBIO-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