General Information of the Compound
| Compound ID |
CP0520537
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| Compound Name |
US9199981, F27
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| Structure |
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| Formula |
C23H22N6O4
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| Molecular Weight |
446.467
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| Canonical SMILES |
COC(=O)NC1(CCC1)c1nc(no1)-c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1
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| InChI |
InChI=1S/C23H22N6O4/c1-14-7-8-15(19-26-21(33-28-19)23(9-5-10-23)27-22(31)32-2)12-16(14)25-20(30)17-13-24-18-6-3-4-11-29(17)18/h3-4,6-8,11-13H,5,9-10H2,1-2H3,(H,25,30)(H,27,31)
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| InChIKey |
JQAOVLHZPSXMAK-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