General Information of the Compound
| Compound ID |
CP0792292
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| Compound Name |
SID22409409
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| Structure |
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| Formula |
C25H26F2N4O3S3
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| Molecular Weight |
564.705
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(S)=Nc3ccc(SC(F)F)cc3)c2)cc1
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| InChI |
InChI=1S/C25H26F2N4O3S3/c1-34-19-8-4-18(5-9-19)30-37(32,33)21-12-13-23(31-14-2-3-15-31)22(16-21)29-25(35)28-17-6-10-20(11-7-17)36-24(26)27/h4-13,16,24,30H,2-3,14-15H2,1H3,(H2,28,29,35)
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| InChIKey |
SNEOEQKTQRSGSP-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