General Information of the Compound
| Compound ID |
CP0846471
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| Compound Name |
SID49647990
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| Structure |
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| Formula |
C22H15FN2O2
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| Molecular Weight |
358.372
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| Canonical SMILES |
O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1ccccc1O
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| InChI |
InChI=1S/C22H15FN2O2/c23-16-12-9-15(10-13-16)11-14-21-24-18-6-2-1-5-17(18)22(27)25(21)19-7-3-4-8-20(19)26/h1-14,26H/b14-11+
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| InChIKey |
ZYAYWQNOEOMRMJ-SDNWHVSQSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3