General Information of the Compound
| Compound ID |
CP0413341
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| Compound Name |
US8772323, 34
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| Structure |
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| Formula |
C25H21N3O3
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| Molecular Weight |
411.461
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| Canonical SMILES |
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCc2ccccc2)c1
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| InChI |
InChI=1S/C25H21N3O3/c1-16-12-23(29)27-28-24(16)18-10-11-21-22(14-18)31-25(26-21)19-8-5-9-20(13-19)30-15-17-6-3-2-4-7-17/h2-11,13-14,16H,12,15H2,1H3,(H,27,29)
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| InChIKey |
HQJIKAIHRRUGMP-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