General Information of the Compound
| Compound ID |
CP0012379
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| Compound Name |
MLS000537020
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| Structure |
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| Formula |
C11H7Cl2F6NO2
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| Molecular Weight |
370.076
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| Canonical SMILES |
OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
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| InChIKey |
OPKJUDPAICUZRP-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