General Information of the Compound
| Compound ID |
CP0090322
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| Compound Name |
MLS000324745
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| Structure |
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| Formula |
C17H10F6N4O3S
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| Molecular Weight |
464.347
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(NC(NC(=O)c3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1
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| InChI |
InChI=1S/C17H10F6N4O3S/c18-16(19,20)15(17(21,22)23,25-13(28)9-4-2-1-3-5-9)26-14-24-11-7-6-10(27(29)30)8-12(11)31-14/h1-8H,(H,24,26)(H,25,28)
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| InChIKey |
RVALRXZLYFQZGR-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