General Information of the Compound
| Compound ID |
CP0907445
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| Compound Name |
SID49721444
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| Structure |
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| Formula |
C21H22F3N3O4S
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| Molecular Weight |
469.485
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| Canonical SMILES |
CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21
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| InChI |
InChI=1S/C21H22F3N3O4S/c1-15(28)27-11-12-31-20-6-5-18(14-19(20)27)32(29,30)26-9-7-25(8-10-26)17-4-2-3-16(13-17)21(22,23)24/h2-6,13-14H,7-12H2,1H3
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| InChIKey |
OHQRAXMEDMRNIP-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