General Information of the Compound
| Compound ID |
CP0665407
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| Compound Name |
SID22402031
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| Structure |
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| Formula |
C24H20FN3O5S2
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| Molecular Weight |
513.572
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| Canonical SMILES |
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1OC
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| InChI |
InChI=1S/C24H20FN3O5S2/c1-32-21-12-11-17(13-22(21)33-2)35(30,31)28-19-6-4-3-5-18(19)23(29)27-24-26-20(14-34-24)15-7-9-16(25)10-8-15/h3-14,28H,1-2H3,(H,26,27,29)
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| InChIKey |
ULCBNBSCTBMEBL-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