General Information of the Compound
| Compound ID |
CP0864852
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| Compound Name |
SID49720036
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| Structure |
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| Formula |
C23H26FN3O3S
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| Molecular Weight |
443.544
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| Canonical SMILES |
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCCN(Cc2ccc(F)cc2)C1
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| InChI |
InChI=1S/C23H26FN3O3S/c1-3-19-7-8-20(22-13-17(2)25-30-22)14-23(19)31(28,29)27-12-4-11-26(16-27)15-18-5-9-21(24)10-6-18/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3
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| InChIKey |
HBIYGCQLYQHSAG-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