General Information of the Compound
| Compound ID |
CP0857855
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| Compound Name |
SID22401637
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| Structure |
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| Formula |
C19H18F6N2O4
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| Molecular Weight |
452.351
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| Canonical SMILES |
CCOc1ccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
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| InChI |
InChI=1S/C19H18F6N2O4/c1-2-29-14-5-3-12(4-6-14)26-17(28)27-13-7-15(30-10-18(20,21)22)9-16(8-13)31-11-19(23,24)25/h3-9H,2,10-11H2,1H3,(H2,26,27,28)
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| InChIKey |
SGRDNVCTHUYPFW-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: PT06124, Paired box protein Pax-8