General Information of the Compound
| Compound ID |
CP0882032
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| Compound Name |
SID99494427
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| Structure |
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| Formula |
C25H24N4O5
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| Molecular Weight |
460.49
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| Canonical SMILES |
COc1cc(-c2cnc3c(NC=O)cc(-c4cccc(NC(C)=O)c4)cn23)cc(OC)c1OC
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| InChI |
InChI=1S/C25H24N4O5/c1-15(31)28-19-7-5-6-16(8-19)18-9-20(27-14-30)25-26-12-21(29(25)13-18)17-10-22(32-2)24(34-4)23(11-17)33-3/h5-14H,1-4H3,(H,27,30)(H,28,31)
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| InChIKey |
OTFHCHAOKVGXDR-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8