General Information of the Compound
| Compound ID |
CP0228170
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| Compound Name |
US9353093, 2
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| Structure |
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| Formula |
C25H22N4O4
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| Molecular Weight |
442.475
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| Canonical SMILES |
COC(=O)c1ccc2cc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)n(C(N)=O)c2c1
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| InChI |
InChI=1S/C25H22N4O4/c1-15-4-3-5-20(12-15)28-25(32)27-19-10-8-16(9-11-19)21-13-17-6-7-18(23(30)33-2)14-22(17)29(21)24(26)31/h3-14H,1-2H3,(H2,26,31)(H2,27,28,32)
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| InChIKey |
JZKVGXOGXXCAKW-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