General Information of the Compound
| Compound ID |
CP0881130
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| Compound Name |
SID85257296
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| Structure |
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| Formula |
C18H12F6N2O3S
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| Molecular Weight |
450.36
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| Canonical SMILES |
O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccc2cccnc12
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| InChI |
InChI=1S/C18H12F6N2O3S/c19-17(20,21)16(27,18(22,23)24)12-6-8-13(9-7-12)26-30(28,29)14-5-1-3-11-4-2-10-25-15(11)14/h1-10,26-27H
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| InChIKey |
BXFHQJWESXVZLL-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: PT06172, Mothers against decapentaplegic homolog 3