General Information of the Compound
| Compound ID |
CP0752002
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| Compound Name |
SID17507620
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| Structure |
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| Formula |
C18H15ClF3N3O3
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| Molecular Weight |
413.783
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| Canonical SMILES |
C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1ccccc1O
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| InChI |
InChI=1S/C18H15ClF3N3O3/c1-10(24-25-17(28)12-4-2-3-5-15(12)26)8-16(27)23-11-6-7-14(19)13(9-11)18(20,21)22/h2-7,9,26H,8H2,1H3,(H,23,27)(H,25,28)/b24-10+
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| InChIKey |
JGENRHXLRDLJEF-YSURURNPSA-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