General Information of the Compound
| Compound ID |
CP0547610
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| Compound Name |
US8772323, 65
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| Structure |
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| Formula |
C25H22N4O3
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| Molecular Weight |
426.476
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCc2ccccn2)c1
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| InChI |
InChI=1S/C25H22N4O3/c1-2-16-14-23(30)28-29-24(16)17-9-10-21-22(13-17)32-25(27-21)18-6-5-8-20(12-18)31-15-19-7-3-4-11-26-19/h3-13,16H,2,14-15H2,1H3,(H,28,30)
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| InChIKey |
RVVJKIBRRVJUEA-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