General Information of the Compound
| Compound ID |
CP0567066
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| Compound Name |
US8772323, 50
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| Structure |
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| Formula |
C25H25N5O4
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| Molecular Weight |
459.506
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2nc(no2)C(C)C)cc1
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| InChI |
InChI=1S/C25H25N5O4/c1-4-15-12-21(31)28-29-23(15)17-7-10-19-20(11-17)33-25(26-19)16-5-8-18(9-6-16)32-13-22-27-24(14(2)3)30-34-22/h5-11,14-15H,4,12-13H2,1-3H3,(H,28,31)
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| InChIKey |
ALKQEYUOSGGBMA-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