General Information of the Compound
| Compound ID |
CP0673299
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| Compound Name |
SID49724927
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| Structure |
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| Formula |
C17H10F3N3O3
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| Molecular Weight |
361.279
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| Canonical SMILES |
O=[N+]([O-])c1ccc(O)c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1
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| InChI |
InChI=1S/C17H10F3N3O3/c18-17(19,20)15-9-13(12-8-11(23(25)26)6-7-14(12)24)21-16(22-15)10-4-2-1-3-5-10/h1-9,24H
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| InChIKey |
QJAVBEBOJYWTSB-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