General Information of the Compound
| Compound ID |
CP0024809
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| Compound Name |
MLS001111235
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| Structure |
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| Formula |
C14H11F3N6O
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| Molecular Weight |
336.277
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| Canonical SMILES |
Cn1ncc2c(ON=C(N)c3ccc(cc3)C(F)(F)F)ncnc12
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| InChI |
InChI=1S/C14H11F3N6O/c1-23-12-10(6-21-23)13(20-7-19-12)24-22-11(18)8-2-4-9(5-3-8)14(15,16)17/h2-7H,1H3,(H2,18,22)
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| InChIKey |
HUKVEFAIURNYTG-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8