General Information of the Compound
| Compound ID |
CP0211482
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| Compound Name |
MLS000707627
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| Structure |
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| Formula |
C24H23ClFN3O5S2
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| Molecular Weight |
552.049
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
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| InChI |
InChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30)
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| InChIKey |
GUGKIDSKXKWITI-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: PT06124, Paired box protein Pax-8