General Information of the Compound
| Compound ID |
CP0574991
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| Compound Name |
US10196378, Compound C08
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| Structure |
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| Formula |
C31H27N7O2
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| Molecular Weight |
529.604
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4ncncc4c3)cc2)n(n1)-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C31H27N7O2/c1-31(2,3)28-17-29(38(37-28)23-8-12-26-20(15-23)5-4-14-33-26)36-30(39)35-22-6-9-24(10-7-22)40-25-11-13-27-21(16-25)18-32-19-34-27/h4-19H,1-3H3,(H2,35,36,39)
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| InChIKey |
VZSXRPCZRQJQFY-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