General Information of the Compound
| Compound ID |
CP0413146
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| Compound Name |
MLS000418648
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| Structure |
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| Formula |
C23H18FN3O3S2
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| Molecular Weight |
467.547
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1nc(cs1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H18FN3O3S2/c1-15-6-12-18(13-7-15)32(29,30)27-20-5-3-2-4-19(20)22(28)26-23-25-21(14-31-23)16-8-10-17(24)11-9-16/h2-14,27H,1H3,(H,25,26,28)
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| InChIKey |
XWAUCQGRYNYIOT-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: PT06172, Mothers against decapentaplegic homolog 3