General Information of the Compound
| Compound ID |
CP0851527
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| Compound Name |
MMV1509658
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| Structure |
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| Formula |
C13H7F3N6
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| Molecular Weight |
304.235
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| Canonical SMILES |
N#CC(C#N)=NNc1ccc(-n2ccc(C(F)(F)F)n2)cc1
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| InChI |
InChI=1S/C13H7F3N6/c14-13(15,16)12-5-6-22(21-12)11-3-1-9(2-4-11)19-20-10(7-17)8-18/h1-6,19H
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| InChIKey |
IXSWFOKLLLVEJO-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: PT06101, Latent membrane protein 1
Protein ID: PT06124, Paired box protein Pax-8